#METABOLOMICS WORKBENCH cmann_20250319_012004 DATATRACK_ID:5744 STUDY_ID:ST003812 ANALYSIS_ID:AN006267 PROJECT_ID:PR002385 VERSION 1 CREATED_ON March 25, 2025, 4:45 am #PROJECT PR:PROJECT_TITLE Sulfur Amino Acid Restriction Enhances Exercise Capacity in Mice by Boosting Fat PR:PROJECT_TITLE Oxidation in Muscle PR:PROJECT_SUMMARY Dietary restriction of the sulfur-containing amino acids methionine and cysteine PR:PROJECT_SUMMARY (SAAR) improves body composition, enhances insulin sensitivity, and extends PR:PROJECT_SUMMARY lifespan; benefits seen also with endurance exercise. Yet, the impact of SAAR on PR:PROJECT_SUMMARY skeletal muscle remains largely unexplored. Here we demonstrate that one week of PR:PROJECT_SUMMARY SAAR in sedentary, young, male mice increases endurance exercise capacity. PR:PROJECT_SUMMARY Indirect calorimetry showed that SAAR increased lipid oxidation at rest and PR:PROJECT_SUMMARY delayed the onset of carbohydrate utilization during exercise. Transcriptomic PR:PROJECT_SUMMARY analysis revealed increased expression of genes involved in fatty acid PR:PROJECT_SUMMARY catabolism especially in glycolytic muscle following SAAR. These findings were PR:PROJECT_SUMMARY functionally supported by increased fatty acid circulatory turnover flux and PR:PROJECT_SUMMARY muscle β-oxidation. Reducing lipid uptake from circulation through endothelial PR:PROJECT_SUMMARY cell (EC)-specific CD36 deletion attenuated the running phenotype. PR:PROJECT_SUMMARY Mechanistically, VEGF-signaling inhibition prevented exercise increases PR:PROJECT_SUMMARY following SAAR, without affecting angiogenesis, implicating noncanonical VEGF PR:PROJECT_SUMMARY signaling and EC CD36-dependent fatty acid transport in regulating exercise PR:PROJECT_SUMMARY capacity by influencing muscle substrate availability. PR:INSTITUTE Princeton University PR:DEPARTMENT Department of Chemistry PR:LABORATORY Prof. Dr. Joshua Rabinowitz PR:LAST_NAME Mann PR:FIRST_NAME Charlotte G. PR:ADDRESS Joseph Stelzmann Strasse 26 PR:EMAIL cmann5@uni-koeln.de PR:PHONE +49 221 478-84102 #STUDY ST:STUDY_TITLE Sulfur Amino Acid Restriction Enhances Exercise Capacity in Mice by Boosting Fat ST:STUDY_TITLE Oxidation in Muscle - metabolomics from CD36 x PdgfBcre vs WT mice on control or ST:STUDY_TITLE SAAR diet ST:STUDY_SUMMARY Dietary restriction of the sulfur-containing amino acids methionine and cysteine ST:STUDY_SUMMARY (SAAR) improves body composition, enhances insulin sensitivity, and extends ST:STUDY_SUMMARY lifespan; benefits seen also with endurance exercise. Yet, the impact of SAAR on ST:STUDY_SUMMARY skeletal muscle remains largely unexplored. Here we demonstrate that one week of ST:STUDY_SUMMARY SAAR in sedentary, young, male mice increases endurance exercise capacity. ST:STUDY_SUMMARY Indirect calorimetry showed that SAAR increased lipid oxidation at rest and ST:STUDY_SUMMARY delayed the onset of carbohydrate utilization during exercise. Transcriptomic ST:STUDY_SUMMARY analysis revealed increased expression of genes involved in fatty acid ST:STUDY_SUMMARY catabolism especially in glycolytic muscle following SAAR. These findings were ST:STUDY_SUMMARY functionally supported by increased fatty acid circulatory turnover flux and ST:STUDY_SUMMARY muscle β-oxidation. Reducing lipid uptake from circulation through endothelial ST:STUDY_SUMMARY cell (EC)-specific CD36 deletion attenuated the running phenotype. ST:STUDY_SUMMARY Mechanistically, VEGF-signaling inhibition prevented exercise increases ST:STUDY_SUMMARY following SAAR, without affecting angiogenesis, implicating noncanonical VEGF ST:STUDY_SUMMARY signaling and EC CD36-dependent fatty acid transport in regulating exercise ST:STUDY_SUMMARY capacity by influencing muscle substrate availability. We performed metabolomics ST:STUDY_SUMMARY analysis on the extensor digitorum longus (EDL), soleus (Sol), and serum to ST:STUDY_SUMMARY investigate the systemic effects of genotype and diet on muscle and circulatory ST:STUDY_SUMMARY metabolites. After one week of dietary treatment, significant changes in a wide ST:STUDY_SUMMARY range of metabolites were not observed. Interestingly, only minimal differences ST:STUDY_SUMMARY were detected between the WT and CD36 × PDGFb KO models. ST:INSTITUTE Princeton University ST:LAST_NAME Mann ST:FIRST_NAME Charlotte Greta ST:ADDRESS Joseph Stelzmann Strasse 26 ST:EMAIL cmann5@uni-koeln.de ST:PHONE +49 221 478-84102 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENOTYPE_STRAIN CD36 fl/fl x Pdgfb-Cre SU:AGE_OR_AGE_RANGE 14 weeks SU:GENDER Male #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 141 Sa_1 Sample source:Mouse EDL muscle | Genoytype:Cre hetero | Diet:SAAR RAW_FILE_NAME(Raw file name )=1.mzXML SUBJECT_SAMPLE_FACTORS 142 Sa_2 Sample source:Mouse EDL muscle | Genoytype:Cre hetero | Diet:SAAR RAW_FILE_NAME(Raw file name )=2.mzXML SUBJECT_SAMPLE_FACTORS 143 Sa_3 Sample source:Mouse EDL muscle | Genoytype:wild type | Diet:Con RAW_FILE_NAME(Raw file name )=3.mzXML SUBJECT_SAMPLE_FACTORS 144 Sa_4 Sample source:Mouse EDL muscle | Genoytype:wild type | Diet:Con RAW_FILE_NAME(Raw file name )=4.mzXML SUBJECT_SAMPLE_FACTORS 145 Sa_5 Sample source:Mouse EDL muscle | Genoytype:Cre hetero | Diet:SAAR RAW_FILE_NAME(Raw file name )=5.mzXML SUBJECT_SAMPLE_FACTORS 147 Sa_6 Sample source:Mouse EDL muscle | Genoytype:wild type | Diet:Con RAW_FILE_NAME(Raw file name )=6.mzXML SUBJECT_SAMPLE_FACTORS 148 Sa_7 Sample source:Mouse EDL muscle | Genoytype:wild type | Diet:Con RAW_FILE_NAME(Raw file name )=7.mzXML SUBJECT_SAMPLE_FACTORS 149 Sa_8 Sample source:Mouse EDL muscle | Genoytype:Cre hetero | Diet:CON RAW_FILE_NAME(Raw file name )=8.mzXML SUBJECT_SAMPLE_FACTORS 150 Sa_9 Sample source:Mouse EDL muscle | Genoytype:Cre hetero | Diet:CON RAW_FILE_NAME(Raw file name )=9.mzXML SUBJECT_SAMPLE_FACTORS 153 Sa_10 Sample source:Mouse EDL muscle | Genoytype:wild type | Diet:SAAR RAW_FILE_NAME(Raw file name )=10.mzXML SUBJECT_SAMPLE_FACTORS 154 Sa_11 Sample source:Mouse EDL muscle | Genoytype:wild type | Diet:SAAR RAW_FILE_NAME(Raw file name )=11.mzXML SUBJECT_SAMPLE_FACTORS 155 Sa_12 Sample source:Mouse EDL muscle | Genoytype:wild type | Diet:SAAR RAW_FILE_NAME(Raw file name )=12.mzXML SUBJECT_SAMPLE_FACTORS 156 Sa_13 Sample source:Mouse EDL muscle | Genoytype:Cre hetero | Diet:SAAR RAW_FILE_NAME(Raw file name )=13.mzXML SUBJECT_SAMPLE_FACTORS 157 Sa_14 Sample source:Mouse EDL muscle | Genoytype:wild type | Diet:SAAR RAW_FILE_NAME(Raw file name )=14.mzXML SUBJECT_SAMPLE_FACTORS 158 Sa_15 Sample source:Mouse EDL muscle | Genoytype:wild type | Diet:SAAR RAW_FILE_NAME(Raw file name )=15.mzXML SUBJECT_SAMPLE_FACTORS 159 Sa_16 Sample source:Mouse EDL muscle | Genoytype:Cre hetero | Diet:SAAR RAW_FILE_NAME(Raw file name )=16.mzXML SUBJECT_SAMPLE_FACTORS 161 Sa_17 Sample source:Mouse EDL muscle | Genoytype:Cre hetero | Diet:CON RAW_FILE_NAME(Raw file name )=17.mzXML SUBJECT_SAMPLE_FACTORS 162 Sa_18 Sample source:Mouse EDL muscle | Genoytype:wild type | Diet:SAAR RAW_FILE_NAME(Raw file name )=18.mzXML SUBJECT_SAMPLE_FACTORS 163 Sa_19 Sample source:Mouse EDL muscle | Genoytype:Cre hetero | Diet:CON RAW_FILE_NAME(Raw file name )=19.mzXML SUBJECT_SAMPLE_FACTORS 164 Sa_20 Sample source:Mouse EDL muscle | Genoytype:wild type | Diet:Con RAW_FILE_NAME(Raw file name )=20.mzXML SUBJECT_SAMPLE_FACTORS 165 Sa_21 Sample source:Mouse EDL muscle | Genoytype:wild type | Diet:Con RAW_FILE_NAME(Raw file name )=21.mzXML SUBJECT_SAMPLE_FACTORS 166 Sa_22 Sample source:Mouse EDL muscle | Genoytype:wild type | Diet:SAAR RAW_FILE_NAME(Raw file name )=22.mzXML SUBJECT_SAMPLE_FACTORS 167 Sa_23 Sample source:Mouse EDL muscle | Genoytype:Cre hetero | Diet:CON RAW_FILE_NAME(Raw file name )=23.mzXML SUBJECT_SAMPLE_FACTORS 168 Sa_24 Sample source:Mouse EDL muscle | Genoytype:Cre hetero | Diet:SAAR RAW_FILE_NAME(Raw file name )=24.mzXML SUBJECT_SAMPLE_FACTORS 169 Sa_25 Sample source:Mouse EDL muscle | Genoytype:Cre hetero | Diet:CON RAW_FILE_NAME(Raw file name )=25.mzXML SUBJECT_SAMPLE_FACTORS 170 Sa_26 Sample source:Mouse EDL muscle | Genoytype:Cre hetero | Diet:SAAR RAW_FILE_NAME(Raw file name )=26.mzXML SUBJECT_SAMPLE_FACTORS 141 Sa_27 Sample source:Mouse soleus muscle | Genoytype:Cre hetero | Diet:SAAR RAW_FILE_NAME(Raw file name )=27.mzXML SUBJECT_SAMPLE_FACTORS 142 Sa_28 Sample source:Mouse soleus muscle | Genoytype:Cre hetero | Diet:SAAR RAW_FILE_NAME(Raw file name )=28.mzXML SUBJECT_SAMPLE_FACTORS 143 Sa_29 Sample source:Mouse soleus muscle | Genoytype:wild type | Diet:Con RAW_FILE_NAME(Raw file name )=29.mzXML SUBJECT_SAMPLE_FACTORS 144 Sa_30 Sample source:Mouse soleus muscle | Genoytype:wild type | Diet:Con RAW_FILE_NAME(Raw file name )=30.mzXML SUBJECT_SAMPLE_FACTORS 145 Sa_31 Sample source:Mouse soleus muscle | Genoytype:Cre hetero | Diet:SAAR RAW_FILE_NAME(Raw file name )=31.mzXML SUBJECT_SAMPLE_FACTORS 147 Sa_32 Sample source:Mouse soleus muscle | Genoytype:wild type | Diet:Con RAW_FILE_NAME(Raw file name )=32.mzXML SUBJECT_SAMPLE_FACTORS 148 Sa_33 Sample source:Mouse soleus muscle | Genoytype:wild type | Diet:Con RAW_FILE_NAME(Raw file name )=33.mzXML SUBJECT_SAMPLE_FACTORS 149 Sa_34 Sample source:Mouse soleus muscle | Genoytype:Cre hetero | Diet:CON RAW_FILE_NAME(Raw file name )=34.mzXML SUBJECT_SAMPLE_FACTORS 150 Sa_35 Sample source:Mouse soleus muscle | Genoytype:Cre hetero | Diet:CON RAW_FILE_NAME(Raw file name )=35.mzXML SUBJECT_SAMPLE_FACTORS 153 Sa_36 Sample source:Mouse soleus muscle | Genoytype:wild type | Diet:SAAR RAW_FILE_NAME(Raw file name )=36.mzXML SUBJECT_SAMPLE_FACTORS 154 Sa_37 Sample source:Mouse soleus muscle | Genoytype:wild type | Diet:SAAR RAW_FILE_NAME(Raw file name )=37.mzXML SUBJECT_SAMPLE_FACTORS 155 Sa_38 Sample source:Mouse soleus muscle | Genoytype:wild type | Diet:SAAR RAW_FILE_NAME(Raw file name )=38.mzXML SUBJECT_SAMPLE_FACTORS 156 Sa_39 Sample source:Mouse soleus muscle | Genoytype:Cre hetero | Diet:SAAR RAW_FILE_NAME(Raw file name )=39.mzXML SUBJECT_SAMPLE_FACTORS 157 Sa_40 Sample source:Mouse soleus muscle | Genoytype:wild type | Diet:SAAR RAW_FILE_NAME(Raw file name )=40.mzXML SUBJECT_SAMPLE_FACTORS 158 Sa_41 Sample source:Mouse soleus muscle | Genoytype:wild type | Diet:SAAR RAW_FILE_NAME(Raw file name )=41.mzXML SUBJECT_SAMPLE_FACTORS 159 Sa_42 Sample source:Mouse soleus muscle | Genoytype:Cre hetero | Diet:SAAR RAW_FILE_NAME(Raw file name )=42.mzXML SUBJECT_SAMPLE_FACTORS 161 Sa_43 Sample source:Mouse soleus muscle | Genoytype:Cre hetero | Diet:CON RAW_FILE_NAME(Raw file name )=43.mzXML SUBJECT_SAMPLE_FACTORS 162 Sa_44 Sample source:Mouse soleus muscle | Genoytype:wild type | Diet:SAAR RAW_FILE_NAME(Raw file name )=44.mzXML SUBJECT_SAMPLE_FACTORS 163 Sa_45 Sample source:Mouse soleus muscle | Genoytype:Cre hetero | Diet:CON RAW_FILE_NAME(Raw file name )=45.mzXML SUBJECT_SAMPLE_FACTORS 164 Sa_46 Sample source:Mouse soleus muscle | Genoytype:wild type | Diet:Con RAW_FILE_NAME(Raw file name )=46.mzXML SUBJECT_SAMPLE_FACTORS 165 Sa_47 Sample source:Mouse soleus muscle | Genoytype:wild type | Diet:Con RAW_FILE_NAME(Raw file name )=47.mzXML SUBJECT_SAMPLE_FACTORS 166 Sa_48 Sample source:Mouse soleus muscle | Genoytype:wild type | Diet:SAAR RAW_FILE_NAME(Raw file name )=48.mzXML SUBJECT_SAMPLE_FACTORS 167 Sa_49 Sample source:Mouse soleus muscle | Genoytype:Cre hetero | Diet:CON RAW_FILE_NAME(Raw file name )=49.mzXML SUBJECT_SAMPLE_FACTORS 168 Sa_50 Sample source:Mouse soleus muscle | Genoytype:Cre hetero | Diet:SAAR RAW_FILE_NAME(Raw file name )=50.mzXML SUBJECT_SAMPLE_FACTORS 169 Sa_51 Sample source:Mouse soleus muscle | Genoytype:Cre hetero | Diet:CON RAW_FILE_NAME(Raw file name )=51.mzXML SUBJECT_SAMPLE_FACTORS 170 Sa_52 Sample source:Mouse soleus muscle | Genoytype:Cre hetero | Diet:SAAR RAW_FILE_NAME(Raw file name )=52.mzXML SUBJECT_SAMPLE_FACTORS 141 Sa_53 Sample source:Mouse Serum | Genoytype:Cre hetero | Diet:SAAR RAW_FILE_NAME(Raw file name )=107.mzXML SUBJECT_SAMPLE_FACTORS 142 Sa_54 Sample source:Mouse Serum | Genoytype:Cre hetero | Diet:SAAR RAW_FILE_NAME(Raw file name )=108.mzXML SUBJECT_SAMPLE_FACTORS 143 Sa_55 Sample source:Mouse Serum | Genoytype:wild type | Diet:Con RAW_FILE_NAME(Raw file name )=109.mzXML SUBJECT_SAMPLE_FACTORS 144 Sa_56 Sample source:Mouse Serum | Genoytype:wild type | Diet:Con RAW_FILE_NAME(Raw file name )=110.mzXML SUBJECT_SAMPLE_FACTORS 145 Sa_57 Sample source:Mouse Serum | Genoytype:Cre hetero | Diet:SAAR RAW_FILE_NAME(Raw file name )=111.mzXML SUBJECT_SAMPLE_FACTORS 147 Sa_58 Sample source:Mouse Serum | Genoytype:wild type | Diet:Con RAW_FILE_NAME(Raw file name )=112.mzXML SUBJECT_SAMPLE_FACTORS 148 Sa_59 Sample source:Mouse Serum | Genoytype:wild type | Diet:Con RAW_FILE_NAME(Raw file name )=113.mzXML SUBJECT_SAMPLE_FACTORS 149 Sa_60 Sample source:Mouse Serum | Genoytype:Cre hetero | Diet:CON RAW_FILE_NAME(Raw file name )=114.mzXML SUBJECT_SAMPLE_FACTORS 150 Sa_61 Sample source:Mouse Serum | Genoytype:Cre hetero | Diet:CON RAW_FILE_NAME(Raw file name )=115.mzXML SUBJECT_SAMPLE_FACTORS 153 Sa_62 Sample source:Mouse Serum | Genoytype:wild type | Diet:SAAR RAW_FILE_NAME(Raw file name )=116.mzXML SUBJECT_SAMPLE_FACTORS 154 Sa_63 Sample source:Mouse Serum | Genoytype:wild type | Diet:SAAR RAW_FILE_NAME(Raw file name )=117.mzXML SUBJECT_SAMPLE_FACTORS 155 Sa_64 Sample source:Mouse Serum | Genoytype:wild type | Diet:SAAR RAW_FILE_NAME(Raw file name )=118.mzXML SUBJECT_SAMPLE_FACTORS 156 Sa_65 Sample source:Mouse Serum | Genoytype:Cre hetero | Diet:SAAR RAW_FILE_NAME(Raw file name )=119.mzXML SUBJECT_SAMPLE_FACTORS 157 Sa_66 Sample source:Mouse Serum | Genoytype:wild type | Diet:SAAR RAW_FILE_NAME(Raw file name )=120.mzXML SUBJECT_SAMPLE_FACTORS 158 Sa_67 Sample source:Mouse Serum | Genoytype:wild type | Diet:SAAR RAW_FILE_NAME(Raw file name )=121.mzXML SUBJECT_SAMPLE_FACTORS 159 Sa_68 Sample source:Mouse Serum | Genoytype:Cre hetero | Diet:SAAR RAW_FILE_NAME(Raw file name )=122.mzXML SUBJECT_SAMPLE_FACTORS 161 Sa_69 Sample source:Mouse Serum | Genoytype:Cre hetero | Diet:CON RAW_FILE_NAME(Raw file name )=123.mzXML SUBJECT_SAMPLE_FACTORS 162 Sa_70 Sample source:Mouse Serum | Genoytype:wild type | Diet:SAAR RAW_FILE_NAME(Raw file name )=124.mzXML SUBJECT_SAMPLE_FACTORS 163 Sa_71 Sample source:Mouse Serum | Genoytype:Cre hetero | Diet:CON RAW_FILE_NAME(Raw file name )=125.mzXML SUBJECT_SAMPLE_FACTORS 164 Sa_72 Sample source:Mouse Serum | Genoytype:wild type | Diet:Con RAW_FILE_NAME(Raw file name )=126.mzXML SUBJECT_SAMPLE_FACTORS 165 Sa_73 Sample source:Mouse Serum | Genoytype:wild type | Diet:Con RAW_FILE_NAME(Raw file name )=127.mzXML SUBJECT_SAMPLE_FACTORS 166 Sa_74 Sample source:Mouse Serum | Genoytype:wild type | Diet:SAAR RAW_FILE_NAME(Raw file name )=128.mzXML SUBJECT_SAMPLE_FACTORS 167 Sa_75 Sample source:Mouse Serum | Genoytype:Cre hetero | Diet:CON RAW_FILE_NAME(Raw file name )=129.mzXML SUBJECT_SAMPLE_FACTORS 168 Sa_76 Sample source:Mouse Serum | Genoytype:Cre hetero | Diet:SAAR RAW_FILE_NAME(Raw file name )=130.mzXML SUBJECT_SAMPLE_FACTORS 169 Sa_77 Sample source:Mouse Serum | Genoytype:Cre hetero | Diet:CON RAW_FILE_NAME(Raw file name )=131.mzXML SUBJECT_SAMPLE_FACTORS 170 Sa_78 Sample source:Mouse Serum | Genoytype:Cre hetero | Diet:SAAR RAW_FILE_NAME(Raw file name )=132.mzXML SUBJECT_SAMPLE_FACTORS blank b_1 Sample source:- | Genoytype:- | Diet:- RAW_FILE_NAME(Raw file name )=b_20240122173146.mzXML SUBJECT_SAMPLE_FACTORS blank b_2 Sample source:- | Genoytype:- | Diet:- RAW_FILE_NAME(Raw file name )=b_20240122175734.mzXML SUBJECT_SAMPLE_FACTORS blank b_3 Sample source:- | Genoytype:- | Diet:- RAW_FILE_NAME(Raw file name )=b_20240122214948.mzXML #COLLECTION CO:COLLECTION_SUMMARY Tissues were collected and snap-frozen in liquid nitrogen. Blood was collected CO:COLLECTION_SUMMARY by cardiac puncture, immediately placed on ice, centrifuged, and the serum was CO:COLLECTION_SUMMARY collected, aliquoted, and frozen in liquid nitrogen. CO:SAMPLE_TYPE muscle and serum #TREATMENT TR:TREATMENT_SUMMARY Wild type (WT) C57BL/6J and Cd36 LoxP/LoxP mice (Cd36tm1.1Ijg/J) were purchased TR:TREATMENT_SUMMARY from Charles River (Freiburg im Breisgau, Germany). To obtain inducible TR:TREATMENT_SUMMARY endothelial cell-specific Cd36 knockout (ECCD36-/-) mice, Cd36 LoxP/LoxP mice TR:TREATMENT_SUMMARY were crossed with PDGFβ.iCreER mice, an EC-selective inducible Cre-driver line TR:TREATMENT_SUMMARY (Claxton et al., 2008, DOI: 10.1002/dvg.20367). Recombination was induced in TR:TREATMENT_SUMMARY 8-10 weeks old male mice by daily intraperitoneal (i.p.) administration of 1mg TR:TREATMENT_SUMMARY tamoxifen (T5648, Sigma-Aldrich) dissolved in 1:10 ethanol:corn oil solution for TR:TREATMENT_SUMMARY 3 consecutive days. A wash out period of at least seven days was allowed before TR:TREATMENT_SUMMARY starting the experiments. Tamoxifen-treated Cre-negative littermates were used TR:TREATMENT_SUMMARY as control for all experiments. Experimental diets were based on Research Diets TR:TREATMENT_SUMMARY D12450J with approximately 18% of calories from protein, 10% from fat and 72% TR:TREATMENT_SUMMARY from carbohydrates. SAAR diets containing 1.15g methionine (M)/kg food and TR:TREATMENT_SUMMARY lacking cysteine (C) (Miller et al., 2005, DOI: TR:TREATMENT_SUMMARY 10.1111/j.1474-9726.2005.00152.x) in the context of a 17% protein/ 73% TR:TREATMENT_SUMMARY carbohydrate calorie diet were provided Ad Libitum (AL). Food intake was TR:TREATMENT_SUMMARY monitored daily during experiments. The Research Diets product number for the TR:TREATMENT_SUMMARY control diet is A17101101 and for SAAR diet is A17101103. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Metabolite extraction of serum: Serum (3 μl) was extracted with cold 100% SP:SAMPLEPREP_SUMMARY methanol (40X), vortexed, and incubated on dry ice for 30 min. Then, the extract SP:SAMPLEPREP_SUMMARY was centrifuged at 20,000 x g for 20 minutes at 4°C and supernatant was SP:SAMPLEPREP_SUMMARY transferred to tubes containing 100% methanol, vortexed and incubated on dry ice SP:SAMPLEPREP_SUMMARY for 30 min. Then, the extract was centrifuged at 20,000 x g for 20 minutes at SP:SAMPLEPREP_SUMMARY 4°C and supernatant was transferred to tubes for LC-MS analysis. Metabolite SP:SAMPLEPREP_SUMMARY extraction of tissues: Frozen tissue pieces were pulverized using a Cryomill SP:SAMPLEPREP_SUMMARY (Retsch) at cryogenic temperature. Ground tissue was weighed (10–20 mg) and SP:SAMPLEPREP_SUMMARY transferred into a precooled tube for extraction. Soluble metabolites extraction SP:SAMPLEPREP_SUMMARY was done by adding −20 °C 40:40:20 methanol:acetonitrile:water to the SP:SAMPLEPREP_SUMMARY resulting powder (40 μl solvent per mg tissue). Samples were vortexed for 10 SP:SAMPLEPREP_SUMMARY seconds, cooled at 4°C (on wet ice) for 20 minutes and then centrifuged at 4 SP:SAMPLEPREP_SUMMARY °C at 20,000 x g for 30 minutes. Supernatant was transferred to LC–MS vials SP:SAMPLEPREP_SUMMARY for analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Dionex CH:COLUMN_NAME Waters XBridge BEH Amide (100 x 2.1mm,2.5um) CH:SOLVENT_A 95% water/5% acetonitrile; 20 mM ammonium acetate; 20 mM ammonium hydroxide, pH CH:SOLVENT_A 9.4 CH:SOLVENT_B 100% acetonitrile CH:FLOW_GRADIENT 0 minutes, 85% B; 2 minutes, 85% B; 3 minutes, 80% B; 5 minutes, 80% B; 6 CH:FLOW_GRADIENT minutes, 75% B; 7 minutes, 75% B; 8 minutes, 70% B; 9 minutes, 70% B; 10 CH:FLOW_GRADIENT minutes, 50% B; 12 minutes, 50% B; 13 minutes, 25% B; 16 minutes, 25% B; 18 CH:FLOW_GRADIENT minutes, 0% B; 23 minutes, 0% B; 24 minutes, 85% B; 30 minutes, 85% B, gradient CH:FLOW_GRADIENT changes were linear CH:FLOW_RATE 150 μl min−1 CH:COLUMN_TEMPERATURE 25°C #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Plus Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS MS full scans were in negative or positive ion mode with a resolution of 140,000 MS:MS_COMMENTS at m/z 200 and scan range of 70–1,000 m/z. The automatic gain control (AGC) MS:MS_COMMENTS target was 1 × 106. LC-MS peak files were analyzed and visualized with El-MAVEN MS:MS_COMMENTS (Elucidata) using 5 ppm ion extraction window, minimum peak intensity of 1 x 105 MS:MS_COMMENTS ions, and minimum signal to background blank ratio of 2 #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS ion count MS_METABOLITE_DATA_START Samples Sa_1 Sa_2 Sa_3 Sa_4 Sa_5 Sa_6 Sa_7 Sa_8 Sa_9 Sa_10 Sa_11 Sa_12 Sa_13 Sa_14 Sa_15 Sa_16 Sa_17 Sa_18 Sa_19 Sa_20 Sa_21 Sa_22 Sa_23 Sa_24 Sa_25 Sa_26 Sa_27 Sa_28 Sa_29 Sa_30 Sa_31 Sa_32 Sa_33 Sa_34 Sa_35 Sa_36 Sa_37 Sa_38 Sa_39 Sa_40 Sa_41 Sa_42 Sa_43 Sa_44 Sa_45 Sa_46 Sa_47 Sa_48 Sa_49 Sa_50 Sa_51 Sa_52 Sa_53 Sa_54 Sa_55 Sa_56 Sa_57 Sa_58 Sa_59 Sa_60 Sa_61 Sa_62 Sa_63 Sa_64 Sa_65 Sa_66 Sa_67 Sa_68 Sa_69 Sa_70 Sa_71 Sa_72 Sa_73 Sa_74 Sa_75 Sa_76 Sa_77 Sa_78 b_1 b_2 b_3 Factors Sample source:Mouse EDL muscle | Genoytype:Cre hetero | Diet:SAAR Sample source:Mouse EDL muscle | Genoytype:Cre hetero | Diet:SAAR Sample source:Mouse EDL muscle | Genoytype:wild type | Diet:Con Sample source:Mouse EDL muscle | Genoytype:wild type | Diet:Con Sample source:Mouse EDL muscle | Genoytype:Cre hetero | Diet:SAAR Sample source:Mouse EDL muscle | Genoytype:wild type | Diet:Con Sample source:Mouse EDL muscle | Genoytype:wild type | Diet:Con Sample source:Mouse EDL muscle | Genoytype:Cre hetero | Diet:CON Sample source:Mouse EDL muscle | Genoytype:Cre hetero | Diet:CON Sample source:Mouse EDL muscle | Genoytype:wild type | Diet:SAAR Sample source:Mouse EDL muscle | Genoytype:wild type | Diet:SAAR Sample source:Mouse EDL muscle | Genoytype:wild type | Diet:SAAR Sample source:Mouse EDL muscle | Genoytype:Cre hetero | Diet:SAAR Sample source:Mouse EDL muscle | Genoytype:wild type | Diet:SAAR Sample source:Mouse EDL muscle | Genoytype:wild type | Diet:SAAR Sample source:Mouse EDL muscle | Genoytype:Cre hetero | Diet:SAAR Sample source:Mouse EDL muscle | Genoytype:Cre hetero | Diet:CON Sample source:Mouse EDL muscle | Genoytype:wild type | Diet:SAAR Sample source:Mouse EDL muscle | Genoytype:Cre hetero | Diet:CON Sample source:Mouse EDL muscle | Genoytype:wild type | Diet:Con Sample source:Mouse EDL muscle | Genoytype:wild type | Diet:Con Sample source:Mouse EDL muscle | Genoytype:wild type | Diet:SAAR Sample source:Mouse EDL muscle | Genoytype:Cre hetero | Diet:CON Sample source:Mouse EDL muscle | Genoytype:Cre hetero | Diet:SAAR Sample source:Mouse EDL muscle | Genoytype:Cre hetero | Diet:CON Sample source:Mouse EDL muscle | Genoytype:Cre hetero | Diet:SAAR Sample source:Mouse soleus muscle | Genoytype:Cre hetero | Diet:SAAR Sample source:Mouse soleus muscle | Genoytype:Cre hetero | Diet:SAAR Sample source:Mouse soleus muscle | Genoytype:wild type | Diet:Con Sample source:Mouse soleus muscle | Genoytype:wild type | Diet:Con Sample source:Mouse soleus muscle | Genoytype:Cre hetero | Diet:SAAR Sample source:Mouse soleus muscle | Genoytype:wild type | Diet:Con Sample source:Mouse soleus muscle | Genoytype:wild type | Diet:Con Sample source:Mouse soleus muscle | Genoytype:Cre hetero | Diet:CON Sample source:Mouse soleus muscle | Genoytype:Cre hetero | Diet:CON Sample source:Mouse soleus muscle | Genoytype:wild type | Diet:SAAR Sample source:Mouse soleus muscle | Genoytype:wild type | Diet:SAAR Sample source:Mouse soleus muscle | Genoytype:wild type | Diet:SAAR Sample source:Mouse soleus muscle | Genoytype:Cre hetero | Diet:SAAR Sample source:Mouse soleus muscle | Genoytype:wild type | Diet:SAAR Sample source:Mouse soleus muscle | Genoytype:wild type | Diet:SAAR Sample source:Mouse soleus muscle | Genoytype:Cre hetero | Diet:SAAR Sample source:Mouse soleus muscle | Genoytype:Cre hetero | Diet:CON Sample source:Mouse soleus muscle | Genoytype:wild type | Diet:SAAR Sample source:Mouse soleus muscle | Genoytype:Cre hetero | Diet:CON Sample source:Mouse soleus muscle | Genoytype:wild type | Diet:Con Sample source:Mouse soleus muscle | Genoytype:wild type | Diet:Con Sample source:Mouse soleus muscle | Genoytype:wild type | Diet:SAAR Sample source:Mouse soleus muscle | Genoytype:Cre hetero | Diet:CON Sample source:Mouse soleus muscle | Genoytype:Cre hetero | Diet:SAAR Sample source:Mouse soleus muscle | Genoytype:Cre hetero | Diet:CON Sample source:Mouse soleus muscle | Genoytype:Cre hetero | Diet:SAAR Sample source:Mouse Serum | Genoytype:Cre hetero | Diet:SAAR Sample source:Mouse Serum | Genoytype:Cre hetero | Diet:SAAR Sample source:Mouse Serum | Genoytype:wild type | Diet:Con Sample source:Mouse Serum | Genoytype:wild type | Diet:Con Sample source:Mouse Serum | Genoytype:Cre hetero | Diet:SAAR Sample source:Mouse Serum | Genoytype:wild type | Diet:Con Sample source:Mouse Serum | Genoytype:wild type | Diet:Con Sample source:Mouse Serum | Genoytype:Cre hetero | Diet:CON Sample source:Mouse Serum | Genoytype:Cre hetero | Diet:CON Sample source:Mouse Serum | Genoytype:wild type | Diet:SAAR Sample source:Mouse Serum | Genoytype:wild type | Diet:SAAR Sample source:Mouse Serum | Genoytype:wild type | Diet:SAAR Sample source:Mouse Serum | Genoytype:Cre hetero | Diet:SAAR Sample source:Mouse Serum | Genoytype:wild type | Diet:SAAR Sample source:Mouse Serum | Genoytype:wild type | Diet:SAAR Sample source:Mouse Serum | Genoytype:Cre hetero | Diet:SAAR Sample source:Mouse Serum | Genoytype:Cre hetero | Diet:CON Sample source:Mouse Serum | Genoytype:wild type | Diet:SAAR Sample source:Mouse Serum | Genoytype:Cre hetero | Diet:CON Sample source:Mouse Serum | Genoytype:wild type | Diet:Con Sample source:Mouse Serum | Genoytype:wild type | Diet:Con Sample source:Mouse Serum | Genoytype:wild type | Diet:SAAR Sample source:Mouse Serum | Genoytype:Cre hetero | Diet:CON Sample source:Mouse Serum | Genoytype:Cre hetero | Diet:SAAR Sample source:Mouse Serum | Genoytype:Cre hetero | Diet:CON Sample source:Mouse Serum | Genoytype:Cre hetero | Diet:SAAR Sample source:- | Genoytype:- | Diet:- Sample source:- | Genoytype:- | Diet:- Sample source:- | Genoytype:- | Diet:- L-Threonine 166858.67 430663.12 212010.23 240351.3 245325.23 190632.14 311070.03 116237.49 233181 98827.75 210159.44 344432.94 787465.31 580080.69 271138.66 948252.19 400720.97 538229.25 825138.75 752488.19 419299.16 863149.19 525028.81 631675.69 683201.44 706598.5 346646 871366.5 473063.78 451935.91 740678.94 455389.66 581924.69 387695 500741.34 608314.69 449795.16 659129.31 1048088.94 465915.34 608227.62 547363.69 390783.41 724682.75 879964.19 397589.38 238020.38 371399.12 586683 609222.19 551977.44 764188.31 12651.02 26886.54 4259.36 17341.32 24712.91 9734.22 14113.03 2137.56 31336.98 17130.23 9463.89 19338.39 34762.06 20504.2 50075.81 26680.88 21547.92 43070.5 49604.75 51977.53 19927.92 56833.72 2703.6 2341.82 2540.36 2973.87 1027.17 869.35 880.24 Niacinamide 8098135.5 12625089 4321329 8507477 6563875.5 9285055 11706045 6064473.5 5508965.5 3739007 10027214 8891091 7407844 6043590 3265867.75 14206309 9486924 6209212.5 6729111.5 8512533 7109675.5 8338370.5 10153081 11120480 14847325 13410769 19412672 14244647 9995445 12526603 13411081 8441503 6976429.5 12447105 7909399.5 10830023 11770931 15944091 9657429 6242274.5 4738237 8287216.5 5791679.5 9441101 5700914 4780879.5 6389587.5 4494928 11807880 8894462 9529897 5805973.5 452146.5 364925.59 145621.48 311747.31 357280.62 182450.67 267642.59 10746.46 315268.34 346717.97 317707.34 409489.97 168184.75 318973.09 474376.34 354117.78 292592.19 215815.62 319396.84 194782.67 221243.83 320724.78 52611.49 51359.35 46822.81 59823.06 5520.49 13971.84 17503.46 3-Hydroxybenzyl alcohol 9287.19 12456.88 8448.74 8883.11 13418.8 8068.25 8784.86 6141.07 8787.71 3530.26 10104.25 12288.49 12706.11 8775.72 4774.32 10241.85 13122.09 10623.11 9333.75 8382.7 13557.19 12966.28 5949.72 10744.13 7905.37 11253.37 11138.73 13061.29 7810.04 10517.22 17809.16 9663.9 5625.49 5900.81 6505.22 14038.11 8941.76 13857.91 8796.69 2806.47 7977.36 7149.9 10021.92 9978.69 9614.17 7750.13 4202.08 5741.36 8827.32 7913.44 12628.58 9487.54 244014.62 263902.59 133045.36 253508.81 200346.42 191000.58 167802.89 294248.91 308322.16 164470.56 158867.06 266590.91 172342.58 242404.95 299488.72 315310.09 309256.09 231359.8 239377.86 299102.44 228666.83 242475.12 29934.38 25687.9 39105.35 41681.8 2787.42 4022.42 3124.99 Taurine 339377760 337621216 331985696 330410016 306674944 325300096 339772128 314042496 306074912 274179040 315847168 323733024 305613440 331493344 242753040 361477792 329164640 306387456 292725152 329528416 328017696 318116288 311260768 291247584 341704672 279767104 296938080 329924128 302193760 327233120 317701408 323017856 306042592 320801152 300192640 308476640 307578592 308216736 307397984 295043328 292695104 292867168 301551008 311255264 302524288 289043616 282047520 262724096 303242112 290084448 332355296 290596576 3623598.75 3309576 1459087 4290443.5 3484749.75 3876746.25 3723423.75 62010.36 5858571.5 2608495.25 1798210.38 2763880.25 2239943.75 3018477.25 7402856 7877388 6719234 3429514 5954016 6884183.5 6739654.5 6821566.5 438685.53 338877.22 741530.94 523731.66 3025.69 228712.67 505669.47 5-Methylcytosine 16641.54 15567.19 10659.09 15433.67 15198.6 9992.69 12204.15 14654.76 12367.72 12674.55 20118.24 12873.5 10250.17 12875.07 6503.76 24510.5 14493.28 12062.38 16828.01 13840.69 12557.64 17036.96 14734.94 14985.84 17870.98 12455.44 11577.28 13976.66 10327.95 11326.88 13466.89 8595.48 9520.95 14346.89 8475.58 14981.43 11462.68 11613.94 9022.34 9383.29 8164.01 14799.78 11164.21 9767.26 12529.32 7919.34 7888.51 9460.3 11988.23 10554.25 14429 9163.07 1969.28 1686.06 1761.04 1197.06 2128.4 2005.84 750.37 1105.45 1910.53 2494.65 2213.8 1244.6 1847.57 1844.92 2181.51 1280.53 2552.6 2367.8 3656.57 2025.76 2931.62 2643.29 808.66 1094.26 940.58 976.79 2989.24 1906.82 2225.04 Thymine 110838.31 101879.05 62315.61 97339.75 155338.28 62590.11 80314.64 130965.52 127837.62 146803.77 171870.45 121316.15 102969.38 144822.97 50721.14 235610.58 128016.75 120554.66 199645.75 87925.19 90508.09 284365.75 148465.58 122829.76 95978.59 98027.98 97398.66 97562.5 55399.27 90331.56 131236.86 59382.13 63593.08 113775.06 88340.43 121087.1 121034.41 110290.09 104787.23 118002.19 94807.74 142610.2 124128.04 101959.76 157385.86 62171.46 62242.07 133270.02 117259.46 101308.72 89530.53 75991.8 35188.09 28458.04 10903.66 30671.82 49268.45 17867.48 20433.72 1659.01 50115.07 37763.83 32176.12 41783.56 33535.09 46479.86 53631.53 66774.76 40896.17 35720.87 76730.43 29732.59 30376.88 75045.59 5133.63 6305.59 3562.58 7312.2 1850.66 1747.22 2560.13 Dihydrothymine 8619.31 6531.22 3846.57 6570.59 5601.19 1634.81 4104.16 7288.41 12172.2 3237.84 5713.25 2748.41 5932.35 5316.15 2816.72 14412.33 3719.96 5672.89 11009.54 5386.32 4392.98 9425.38 21424.99 8180.62 4548.53 6631.45 4207.64 4857.89 2958.4 4563.1 6970.59 1319.09 3488.97 2987.78 10050.33 7272 4852.08 4999.9 3930.72 8359.42 3098.63 1741.31 3496.38 6671.76 8408.77 5643.7 4261.11 3156.52 18392.17 6236.87 7825.85 9080.64 2149.86 2738.02 1941.89 3473.64 1221.14 2644.08 2927.49 1101.62 1376.54 2058.79 1468.22 2075.51 1644.91 1852.95 1439.72 2444.67 1472.42 3262.41 2013.38 1988.66 995.56 3490.63 919.27 1138.35 1088.15 847.83 1522.18 732.01 1370.13 Pipecolic acid 371417.66 521744.91 267693.97 386313.62 452665.59 350385.91 435810.78 321136.38 201648.38 191184.94 392368.5 325635.84 308988.91 412312.84 195236.73 543199.81 415676.84 423379.5 308153.94 392181.38 467624.25 349978.5 199996.75 388396.66 442848.59 311523.28 267496.72 565105.5 288176.22 364013.66 457478.66 325476.78 306934.28 336654.72 165441.22 272008.78 329911.16 325565.59 289973.72 239796.98 246745.33 302531.59 271864.62 401684.75 283669.75 239691.06 241933.75 180926.12 186968.38 337221.47 317493.22 304107.91 49056.76 91396.59 15913.95 61186.74 86276.29 37034.57 33275.62 2939.48 50001.53 42706.02 35079.2 48562.34 34839.09 57706.09 104285.56 79490.62 83940.94 74746.77 77920.77 70464.84 76440.81 84685.67 2679.06 1739.9 4884.97 5733.23 3057.76 6790.42 6113.42 Citraconic acid 20894.51 28005.03 7254.15 27804.11 24782.58 20558.31 11703.12 16243.41 26145.11 3018.83 32848.68 6571.59 13049.69 25399.75 3953.74 51692.91 43372.25 13461.07 5884.57 8242.21 29614.32 13657.4 30552.85 6345.72 41713.77 19314.13 41799.63 78822.59 50095.23 38288.78 53618.02 63820.89 62900.95 72728.59 45546.36 50701.68 61365.11 50653.45 54662.11 71381.63 67321.51 82622.04 43361.42 69100.76 32808.91 49268.52 38041.47 22696.3 55922.91 37840.8 68764.05 68693.05 112.18 172.32 147.42 0 0 0 0 0 0 171.92 0 0 127.92 165.48 158.74 0 115.99 0 141.29 0 0 0 0 142.5 0 120.77 0 0 0 Ketoleucine 9194.81 8465.98 9371.94 12516.21 9022.06 9391.76 5108.17 13876.07 6322.47 5554 11255.91 18613.05 5142.96 16623.43 6561.69 11174.31 7986.34 11102.42 6389.62 10735.69 14224.59 9774.27 5033.25 5780.43 8383.57 7584.78 11924.45 7832.55 7449.39 7529.65 19354.39 15633.13 8608.53 11579.72 5624.41 7873.66 6706.57 5771.4 8061.42 6457.39 11365.16 12131.26 5547.16 11944.09 8742.74 7047.34 6792.27 4593.18 5395.47 7412.28 8181.69 17972.59 173835.95 182182.92 103100.97 197266.38 146755.33 127357.55 135408.55 227854.05 229816.33 118494.81 113854.46 195247.02 137504.09 171742.45 237343.5 242932.56 238102.92 184201.58 205742.2 213607.3 181184.23 165526.92 22368.83 19575.7 27161.6 27259.96 4898.02 3705.08 2636.77 Creatine 738626048 764796928 620893952 775050816 687619136 695498944 738699712 692893824 616301376 528292864 715560064 733017664 608838976 595199296 411172352 842245568 724376576 686585536 663088576 771875008 707732672 729419072 679488960 664966400 810026816 697071552 573902400 615518016 580419264 584193856 644028992 565252608 524784864 628320512 532463744 593427776 536993536 590923072 542358912 497578784 460424992 551292480 483448992 580442624 553101120 441030688 443459680 352005856 536733088 558710976 596699904 531702240 8982849 10536236 3645275.25 9998967 11448655 8251026.5 9755245 268100.06 11229516 13559407 6017412.5 9226410 8314878.5 8174291.5 14544540 10178133 14545263 15114561 12208947 15508312 14574645 13946812 1233083.38 1298928.88 1736804 1006169.81 53342.57 826569 2473321.25 L-Isoleucine 2500129.75 1962196.38 1312229.88 2066809.88 2188690 1112961 1791897.62 1890521.5 937867.56 1338617.88 3673811.25 1524666.12 1864302.38 2394815.75 972977.19 3423180.25 2453814.5 3441080.75 1763063.62 2401137.25 1905668 2032124.5 3007082 2141529.75 3034700.75 1826715.12 2337854.5 2228099.75 1673344 2501458.25 2779926.25 1260524.62 737433.81 2816569 1037592.75 3001469.25 2708016.75 1585761 1647952 887721.19 684289.5 1473650 982142.81 2755613.75 1369672.25 836760.56 589822.88 548575.19 2128332.25 1636263.5 1872909.38 1452340.38 272985.53 231822.95 55780.46 298903.34 329059.22 123965.73 114759.22 3472.7 179922.25 325566.47 190208.2 217476.11 219337.67 214157.45 281924.66 338163.16 279611.22 566739.19 337202.47 366498.84 278456.59 357991.88 1364.75 2787.58 3859.36 12669.76 12798.02 34077.86 13576.32 L-Leucine 4589485.5 3676875.25 1993406 3880565.25 3209025.25 1877815.5 2275187.25 2430505 1340016.12 1872237.12 4669246 2388770 3055117 3233513.25 1174252.5 4852409.5 3110330.75 5601755.5 2033250 4363650.5 2663790.75 3022896.75 3919172 2471332.5 4153827 2209587 2941422.75 3135667.25 2150839.75 3234684 4183544.25 1462555.12 1234596.88 3783273.75 1099391.88 3984266.25 3197357 3064503.75 2684549.25 1360639.88 1108472.75 1640833.12 1515533.62 4886480.5 1738927.38 1656294.38 1026635.19 994098.31 2238263.5 2151234 2831924.25 2101130.75 470347.09 432256.16 110363.66 539110.44 573675.31 253311.98 226049.58 6651.31 407805.59 445075.22 270409.66 413113.91 427219.66 401539.75 612373.06 684510.38 605578.88 1216674.25 636684.38 862146.5 560000.94 744590.69 10720.43 5921.73 24673.65 12669.76 7321.67 17861.17 15570.92 L-Asparagine 356269.62 398319.22 171079.05 434434.38 388879.03 280414.28 290445.97 342385.88 289357.53 189183.75 397399.38 220832.95 292525 532295.75 208958.06 663516.94 428528.09 355809.47 312219.84 189773.38 271934.41 302340.03 512965.66 518494.88 594656.94 439008.72 644986.25 756864 462075.88 739719.69 819265.5 590257.25 413238.41 735146.5 485132.5 666212.44 582263 360216.12 402067.88 452761.84 408538.03 629611.25 509560.22 659004.12 519795.66 202092.83 284901.41 207501.3 568602.56 804782 717197.75 724850.69 12872.21 19345.03 4933.44 18845.1 17462.15 10732.91 10003.13 2824.62 27392.3 21530.22 8163.63 12711.9 11696.49 18844.1 38326.69 22562.45 20938.96 21259.5 29862.56 17247.9 16616.64 27511.85 3272.09 2691.76 3189.1 3255.32 573.44 341.75 414.25 Ornithine 103997.82 135872.64 105368.75 108631.99 100643.79 110111.35 113551.96 63802.44 89513.59 55345 94576.4 104243.09 186899.12 106645.05 76522.87 172637.11 118731.87 161660.03 124448.7 219009.92 144554.83 181702.05 92106.41 127817.05 115160.01 90117.23 84172.93 102169.05 74849.07 100923 90712.01 82458.53 77298.82 73115.88 53075.32 84660.38 85272.51 83551.85 139940.52 57897.84 36590.17 88462.97 72994.87 133463.11 73971.53 105767.41 62801.23 78606.91 59188.74 91083.71 64303.75 73679.73 63417.86 63644.42 8048.99 49422.7 49759.66 17271.03 16989.46 13374.08 48631.88 54892.92 11042.75 68242.07 51719.28 55286.37 51974.05 64170.25 48553.22 123851.69 90110.78 73574.27 43834.65 74145.12 3873.93 3104.11 3214.33 3169.42 364.35 940.15 667.78 L-Aspartic acid 609568.44 529742.31 311093.09 737968.19 496549.62 405206.16 594320.75 568742.19 367987.97 162136.19 806328.69 402438.03 709571.31 857405 307503.75 1811029.38 1412723 1031031.56 797521.25 1220683.12 1282025.5 783806.06 1143827.88 1206530.38 1163964.62 936801.25 3011193.25 2794077.75 2536716 2888586 4913257.5 2199259.75 2032014.12 3757307.25 2101836.5 3684684.75 2046846.38 2719001.25 1773034 2296392 1913974 3530341 2666764.25 3258030.25 2532757.5 1402304 1659008 797296.5 2740948.25 3683618 3851248 3215146.75 4654.24 4298.13 4046.1 4187.97 5543.5 4022.46 4597.8 4448.25 5257.55 4866.62 3577.09 5769.94 4743.04 4977.81 6091.29 6704.54 5833.7 6667.33 8069.86 5976.8 7383.96 8871.86 4386.93 3415.97 3937.19 3444.3 626.2 2497.54 1984.74 Adenine 337570.78 294233.53 167850.38 296390.66 244706.12 206459.7 270222 181915.39 202868.2 188272.64 498855.25 340574.41 229035.33 184095.2 306241.78 325414 260135.45 208224.42 311869.31 211233.92 266816.5 334705.75 309908.78 330215.12 428309.62 376129.38 914396.31 734325.44 570349.69 658821.25 705058.69 442011.34 425437.22 518249.72 517172.53 800044 650256 792939.56 493749.5 391852.84 436923.38 431790.25 383770.62 475049.28 449107.09 297013.72 471389.66 198709.77 593921.69 542600 688709.06 547370.81 23427.38 27917.19 28418.6 20215.18 22080.78 18539.06 15103.19 8173.98 17961.4 20747.43 11615.5 20598.84 15394.39 16016.07 18450.56 20836.2 18086.05 16029.34 17674.77 11438.95 20500.38 17284.49 6902.46 6648.65 6626.76 5899.15 533 37842.29 37799.94 Threonic acid 1503908.5 1208258.75 661599.69 1467654.38 1006544.31 643068.19 739923.94 479508.66 580947.56 1498516.38 1474075.88 1520249.88 341353.66 489016.25 172247.41 971600.5 550329.94 339694.94 499905.5 470337.38 568941.44 586859.06 1402399.62 606446.56 3284077 744874.94 4382378.5 4200387.5 2242902.5 3611405 3198338.75 827578 1006467.81 1542692.12 1528771.12 2634729.25 2402703.75 3717271 899801.81 801506.69 676406.94 1271317.38 847009.5 934705.31 683801.56 668703.44 1474084.88 548120.31 2203299.25 1137274.75 2654944 846533.56 5511.02 29107.94 31950.59 55943.74 2643.12 24591.61 897.49 1190.82 1009.29 51249.79 29905.56 6138.45 1849.95 506614.5 1820.13 24848.81 14172.56 2674.34 2096.37 3840.95 2146.98 4106.29 1025.32 3680.8 1972.27 1938.51 237.81 922.56 1153.22 Hypoxanthine 1503908.5 1178413.62 661599.69 1467654.38 1006544.31 671324.94 739923.94 479508.66 580947.56 1498516.38 1747095.88 1520249.88 341353.66 489016.25 172247.41 971600.5 550329.94 339694.94 499905.5 470337.38 568941.44 586859.06 1398869.88 606446.56 3284077 744874.94 4382378.5 4200387.5 2242902.5 3611405 3198338.75 827578 1006467.81 1542692.12 1528771.12 2503332.25 2402703.75 3717271 899801.81 801506.69 676406.94 1271317.38 847009.5 934705.31 683801.56 668703.44 1474084.88 548120.31 2203299.25 1137274.75 2654944 846533.56 16253.92 44314.98 31950.59 86445.66 6546.99 24591.61 3970.94 1575.16 4817.51 159256.98 29905.56 8019.61 5521.75 506614.5 4579.29 24848.81 33471.79 2312.32 3380.23 5831.22 9425.32 4952.27 2847.35 3680.8 9442.96 1843.43 237.81 793.86 1544.42 Trigonelline 492924.59 632394.94 685282.56 618393.75 549854.81 674204.81 699639.69 591755.06 498577.97 590742.75 605310.31 511680.34 404263.53 460967.22 229548.77 711131.94 528342.94 595949.12 390767.09 710672.94 572503.94 510730.34 251906.62 464029.28 359885 552115.06 459661.38 515863.34 699948.31 790726.19 326382.03 695491.44 897114.44 517252.84 481114.38 497090.53 523482.28 394651.72 523978.28 735934.25 575287.06 920443.56 745554.81 712593.06 463744.91 1000498.56 812094.94 767816.81 318572.16 389551.41 322819.41 719714.56 32468.01 61844.64 13521.52 38614.44 75256.59 21197.15 33540.07 2677.28 42561.38 51179.21 30243.24 65972.95 18997.5 35407.4 51353.28 52090.16 55886.96 49556.88 61937.41 59152.84 59694.61 67017.45 1966.91 2854.3 3163.08 4158.65 1153.31 1049.92 1818.69 Urocanic acid 175766.33 244575.2 127009.72 207419.11 180979.36 59514.25 61908.28 53715.95 90366.84 43339.82 172822.86 45489.22 53407.31 27581.32 32431.4 108138.05 70573.79 115970.37 73806.17 111521.41 64965.64 165729.89 131859.8 82296.02 172371.47 37545.96 178807.67 248421.58 131758.92 397876.72 82493.24 162422.06 81769.51 92295.31 54987.57 183826.92 112894.91 236276.38 156079.19 21312.92 23740.16 103747.27 174131.98 158356.3 14526.58 40048.65 39746.77 110209.41 49798.34 34992.16 154217.2 46122.55 3504.67 4532.63 2506.52 7128.9 18074.37 2626.52 1919.05 84022.51 7979.71 3002.37 1260.22 4367.15 2141.82 3106.38 3993.99 14092.01 2973.73 2477.33 3634.65 4314.36 1546.52 4296.95 303.19 782.36 1981.68 378.98 188.09 524.03 530.6 Acetylphosphate 91324.77 121545.63 104851.62 86499.9 87760.43 120835.35 117734.76 75324.99 86138.51 52740.62 95297.85 91303.9 116689.5 99641.47 79598.55 184792.31 138655.38 91419.46 118783.91 146302.48 107808.68 157231.64 132049.23 102487.1 126946.77 90170.78 33843.97 99402.94 139800.45 69941.43 58213.59 71616.17 94400.1 86413.55 95516.41 69332.73 75098.57 59848.39 87556.85 46428.89 44091.57 90094.04 49244.94 122862.47 85756.74 66920.95 66187.75 51565.86 72875.85 100533.6 79701.2 91413.2 1715.69 3408.58 4447.75 4728.74 3322.27 1434.7 1343.21 3152.6 1459.12 2620.25 3490.62 1963.03 4876.31 5928.25 3141.79 2983.16 2919.65 1705.73 1739.23 2188.84 3602.61 2501.53 3441.91 1780.6 2121.71 3455.45 1487.99 2282.45 3290.37 Methylimidazoleacetic acid 96392.85 64328.12 59605.81 80694.97 113511.56 67401.04 75879.81 29345.37 20221.29 69203.02 223924.75 90154.78 49323.67 57339.83 73950.05 193098.2 55328.73 30597.72 45984.3 60575.87 46365.69 60125.2 53015.34 60893.47 44826.46 75907.13 56190.34 111635.53 53346.99 56520.08 85956.71 53290.39 43593.98 47966.67 20409.18 129703.41 169229.95 90877.59 66541.8 56841.07 130349.84 84510.28 52132.89 62747.88 51430.76 38703.74 31109.43 37258.21 44286.67 59553.96 61587.66 75131.23 8919.89 9041.31 2901.34 8165.5 15942.12 5888.63 5609.9 960.88 5580.3 16162.61 15183.74 14399.73 7659.07 7002.03 23336.62 18882.33 13271.13 15066.61 11852.92 10170.83 7403.05 17105.26 1517.48 1775.84 1795 2099.87 926.13 861.11 917.22 1,3-Dimethyluracil 29041.16 40167.58 36147.25 36954.05 40083.75 35818.14 36316.7 28567.51 37495.74 3805.98 37014.8 26884.32 35226.03 36074.52 28072.02 41129.5 45637.3 36746.28 30602.12 42976.37 49301.91 41320.43 37408.65 36328.75 43774.4 40859.32 35973.8 53188.95 42308.21 46374.02 46146.59 52381.5 33435.39 57155.91 32859.67 42448.39 42814.94 35245.3 38712.94 15247.43 29872.45 44619.67 41276.07 44090.81 43209.91 6606.35 8467.59 4124.95 36284.67 45304.69 41165.88 40963.39 19599.67 19325.14 11232.25 24870.95 26462.23 27856.75 25926 2942.27 38830.38 22245.28 21958.35 34742.76 23634.48 31275.35 45319.61 38228.67 29834.22 32669.89 36405.48 43400.14 21009.95 34168.56 2689.11 1919.6 5778.44 6426.87 4967.65 3834.1 3912.01 O-Phosphoethanolamine 752425.19 902408 668499.56 675612.25 617921.94 678002.44 867018.69 552729.31 909858.75 387941.34 760445.5 680389.56 483978.97 576610.38 286108.28 1008892.06 811936.56 517851.47 554309.31 752623 817868.5 569303.19 1058064.62 613112.25 1297511 534189 1657569 2318769.25 1934351 2048990.38 2437286.75 1943836.38 1874044 1976838.38 1772232.62 1832569 1501076.12 1615766.62 1162195.25 1391394 1091902 1814570.62 1630634 1590042.62 1277577.88 1092511 1284607.88 789250 2172445.25 1615446 2394377.5 1614524.5 7053.4 6017.39 2324.13 4828.37 6254.02 4168.83 4837.08 335.63 6095.81 7143.45 2303.25 6412.8 3927.31 4945.11 8057.81 10660.69 8726.1 6005.66 8554.17 8166.11 8947.85 8295.91 527.62 594.64 1433.97 932.86 110.81 4652.75 3729.8 3-Methylglutaconic acid 1094804.5 1098674 745777.5 960826.81 858942.56 850637.44 810637.5 766013 822490.56 624059.31 1002716.19 981466.75 690749.75 827514.06 527252.31 1065721.5 991532.25 916914.44 1018451.69 861227.5 945320.81 1110173.88 893762 779924.44 1221053.5 1033728.19 1844000 1386095.62 994721.5 971403 2062923.5 977658.19 638238.69 1335220.38 795055.19 1536664 1670847.38 1770521.62 978106.19 808707.5 670984.19 1181544.12 719767.06 980698.44 1263189.25 684290.75 886247.31 601116.56 994630.44 1291659.62 1665112 1150742.62 54236.02 72554.39 14634.03 66775.27 44881.54 65654.82 34399.46 216.94 67609.32 63899.14 63894.86 86388.48 23436.48 69110.73 203399.06 99027.23 69070.98 35503.63 100237.5 49083.43 54891.75 62042.87 4201.97 2879.8 5890.02 5602.11 426.56 466.79 556.54 4-Guanidinobutanoic acid 4609.59 6887.74 6578.54 3987.76 13115.47 1741.19 2057.19 6179.49 6222.78 11261.33 15545.08 2775.16 5586.94 9417.04 13385.87 6804.66 11961.9 15632.6 25564.18 1643.15 775.65 20324.91 13910.88 3459.05 8490.88 9722.92 25348.18 29492.47 13848.2 2140.8 59890.48 2270.48 8679.94 2676.79 12659.69 29855.27 12997.08 9164.56 15806.7 26205.4 20682.64 24984.98 9837.93 33010.15 55507.58 10067.16 14386.05 34169.5 16977.31 41408.12 12702.96 18281.69 10848.23 38446.78 9922.44 18787.06 18222.24 12708.95 22027.69 3612.74 19395.53 18300.95 8894.69 34389.55 27587.23 20888.16 34307.47 32684.09 23903.79 36354.34 79138.62 42131 29830.81 45614.89 6134.71 5307.65 6020.13 5832.07 846.88 2333.88 2219.75 Acetylcholine 2839888 2241191.5 3036233.25 3150355.75 2686820 2605564.25 3902952.75 2504542.25 2738637.25 559850.06 3892277.75 2941776.25 4321761.5 4591636.5 2496230 8113050.5 4932423.5 4028942.25 3977468.25 4513446.5 4624881.5 5749472.5 4849314 3852281.75 3920511.75 3671378.25 3556424.25 5374682.5 4321704 5291740.5 5221782 4470267 1827106.62 3890001.75 3726139.75 3563425.75 4450551 2782001.25 4178962 2199035.5 1673579.38 2826119.25 2488777.25 3128073.25 3070440.75 1164501.5 1017664.81 1314819.25 3430648.75 4114532.75 3462168.75 3901489.25 11048.63 8341.98 4928.18 11643.79 7518.47 11979.93 7962.67 3825.37 9861 13291.41 12152.64 10439.04 14153.48 31238.54 26543.73 18172.37 14324.88 12750.92 39218.96 13139.64 9249.47 30680.16 4252.03 4445.71 2468.97 5368.59 10718.23 18581.77 14351.07 4-Trimethylammoniobutanoic acid 3110999.25 3404579 2375691.75 2978944.25 2355933.75 2723889.25 4398366 2904479 3712099.25 1546396.88 3419078.75 3262358 3222793.75 4348368 1366138.5 4264067.5 3902318.75 3931450.75 3846304 4348204.5 4621450 4002175.25 4741581.5 3545378.75 6245600.5 3697176 6464994 8193761.5 7110189.5 6033204 6994436 5957858.5 5617864 6873653.5 6090062 6913408.5 7412201.5 6885054.5 6954124 5519116.5 4584711.5 5527111.5 5256226.5 8013614.5 7054460 4275279.5 3716416.75 3713520.75 6366078 7540220 7833677.5 7834109.5 109906.62 154950.92 57257.61 160922.23 104388.95 125860.44 160219.38 4897.89 276191.03 162013.03 81562.77 125171.52 58036.82 165814.81 196928.52 243252.62 195062.3 134720.42 230282.25 144130.62 205404.64 188738.83 26680.37 9071.99 26254.1 19448.58 2742.32 5516.68 7952.92 Adipic acid 20248.58 25902.54 26518.05 29667.28 17130.82 21156.69 34480.01 16591.49 23795.7 11008.05 26160.65 30981.21 38207.36 62344.06 22442.38 48539 44638.84 51274.72 28117.46 26560.17 27190.73 34546.64 32940.38 48599.11 42157.05 49216.58 44830.03 35832.43 45710.58 35343.75 35819.08 28799.7 28350.27 45978.47 27266.27 48501.59 39569.65 32448.71 63339.04 53124.12 47854.85 42439.46 30581.01 50756.13 56214.2 31010.3 33846.16 37015.5 34011.68 44640.68 28708.04 73379.52 3237.9 4000.25 1332.77 5068.59 3127.79 4341.53 3047.66 884.36 5636.24 4779.86 2592.53 2898.85 3366.31 4078.43 6901.14 6243.84 4633.98 6933.43 6929.01 6918.32 8397.95 6014.6 1205.67 1278.5 1354.23 1376.69 696.54 1182.98 1209.42 Methylglutaric acid 20248.58 25902.54 26518.05 29667.28 17130.82 21156.69 34480.01 16591.49 23795.7 11008.05 26160.65 30981.21 38207.36 62344.06 22442.38 48539 44638.84 51274.72 28117.46 26560.17 27190.73 34546.64 32940.38 48599.11 42157.05 49216.58 44830.03 35832.43 45710.58 35343.75 35819.08 28799.7 28350.27 45978.47 27266.27 48501.59 39569.65 32448.71 63339.04 53124.12 47854.85 42439.46 30581.01 50756.13 56214.2 31010.3 33846.16 37015.5 34011.68 44640.68 28708.04 73379.52 3237.9 4000.25 1332.77 5068.59 3127.79 4341.53 3047.66 1116.62 5636.24 4779.86 2592.53 2898.85 3366.31 4078.43 6901.14 6243.84 4633.98 6933.43 6929.01 6918.32 8397.95 6014.6 1205.67 1506.65 1354.23 1376.69 696.54 1182.98 1209.42 L-Glutamine 25736990 31536384 22460822 27109062 24311906 26007592 35405484 22091094 23827176 13881423 27501080 27819418 44000796 51945664 27229078 71508936 38547524 40497892 39715132 35451444 34962120 40310724 37231420 48779188 43770220 50767988 44970128 49373820 46008660 44971652 51036972 44246836 39949844 48235984 37171868 46160356 44683316 41874044 57325052 44472592 46990092 48535124 37501928 57602672 53230412 32561718 31976496 37390492 46634220 61730100 41906724 60499716 2565976.5 3434653 1068340.38 3103784.75 2839096 3129270 2835725 14611.74 5972145.5 3470793.75 1883603.38 3837388 3102284 4652859.5 8506747 6158926.5 5129826.5 5293720.5 5866397.5 6510862 5382677 7446376 341713.25 364260.84 452383.25 524971.31 547.39 32187.68 43511.54 L-Lysine 2171315.75 3185872.75 3490636.75 2615987.75 2452222.75 3426478 2247150.25 1747402.38 2100246.25 1028052.69 2697903 4374601 5796345.5 3176944.25 3763362.75 8024020 4256280.5 4748911.5 3354384.25 4301922.5 3384306 5118504.5 3250630.25 3512026.75 8004989.5 3479982.75 2791018.25 4326385 4302315 3531878.75 4541863.5 3386681.75 2059273.62 2950436.25 1914153.38 3638180.75 3371226.75 5360943 5399435.5 2001854.62 3042341.25 2815766 2388911 4856968.5 3317658.75 1840987.62 1472118.12 2061515.38 2471640.25 3644896.75 3595049.75 3087977.75 138874.69 205159.5 68324.87 187409.17 165172.38 106396.66 95169.56 4035.18 161896.7 117172.47 68727.41 168972.34 176841.44 125985.99 286188.5 208643.75 176070.92 310934.88 236599.42 257666.55 168043.78 339423.56 13395.55 10881.67 14713.69 13905.2 1340.46 8361.71 6640.07 L-Glutamic acid 11737757 11952821 10741011 11581468 9559003 11141439 11112271 9571657 9101217 4540884.5 14570829 5313853.5 9338096 14288395 4656122 19648004 12711445 8720264 8421681 10693013 10293030 7013285.5 10785989 8589181 14284360 8655443 18670946 28336314 25566800 29083478 23755952 28603098 21037650 23547374 23334896 19916406 26992096 17607462 24711554 24631670 21536990 29442086 27061314 27087272 21737218 21408174 20214914 15370311 23670176 18709774 24799042 21990986 84707.73 106704.41 21135.09 102351.78 83532.13 74881.5 78054.78 5640.89 162897.55 137471.58 45131.25 126945.74 101794.44 116686.62 270406.72 168605.22 122622.68 109306.85 233403.11 128829.62 147887.55 218962.95 8679.27 6511.46 14410.56 11484.37 1363.3 11123.37 13188.95 Mevalonic acid 27757.38 25105.25 19754.98 21256.52 21111.62 14547.78 20971.9 18766.02 15818.37 6956.27 11246.86 8091.77 12308.55 13364.17 6246.55 24309.84 8302.25 12483.51 16741.38 22023.99 24121.14 21565.5 11962.16 17286.88 18823.14 21234.74 26076.26 27210.7 24462.77 21258.04 30764.66 16867.67 18323.6 23993.66 15243.6 16325.8 10929.7 12511.41 15386.23 10267.26 12265.16 11246.45 7340.24 16081.68 14399.47 12859.11 16140.68 8504.5 13385.57 16343.24 16105.91 17356.63 5759.81 6488.93 2097.09 5258.64 7479.93 6977.53 4860.26 752.15 9300.57 5187.88 3263.34 3727.56 4612.12 6825.94 8576.92 6834.19 3336.63 6373.11 8593.18 5427.73 10602.1 11044.34 649.83 1092.32 992.31 1233.24 296.85 286.38 282.79 L-Methionine 609357.25 716257.81 612370.19 747595.69 517837.53 694256.25 656661.81 503980.78 806015.81 326347.22 724104 471852.47 617120.56 734308.81 318845.53 943494 852419 623238.38 503233.25 2434005.25 792972.75 561296.56 1000695.75 730162.69 1149043.88 531217.69 488414.59 723461.94 728585.75 796227 729478.19 687721.44 427163.66 620586 652800.38 706024 540906.06 446816.91 540183.69 351727.16 308866.84 406130.16 446565.25 511799.78 430032.5 1059078.38 344184 179498.33 712258.19 560933.94 775578.69 482521.41 31776.23 46273.73 15171.41 63929.71 45982.21 40632.89 25598.52 562.36 92832.85 39693.48 18164.16 31000.55 30569.49 38607.34 76610.25 55456.66 60930.83 57307.08 66732.06 224499.5 60363.76 66577.27 2856.8 1737.45 4061.08 2826.2 0 0 215.62 2-Phenylpropionate 16053.76 13580.72 12861.81 9613.67 13528.34 15795.1 16362.38 8867.35 6796.29 9244.34 15538.74 13047.06 16229.99 12286.5 18184.45 14488.77 17334.35 10504.53 16532.13 14029.08 19259.12 8808.61 14088.03 13657.89 17226.78 12122.54 19771.3 18454.72 16985.47 16546.14 23307.05 9338.42 11569.23 12956.41 13909.23 11209.59 14600.84 17185.64 15405.74 8800.96 17859.21 13016.21 12148.87 13759.47 18937.12 5965.07 10592.2 9013.51 15699.43 16598.01 18858.02 22994.6 82127.78 123609.66 49712.54 97825.52 65641.34 76165.33 84087.83 109120.78 112446.43 80755.16 71525.91 110661.04 66967.74 103989.98 147020.55 132753.44 122625.77 115745.06 128855.04 126219.34 109121.04 92847.2 10762.38 10194.9 14866.4 16438.87 3798.08 4926.01 4757.57 Guanine 16718.7 5800.97 5483.26 21476.51 2087.8 4107.07 5301.18 2962.91 7173.46 4665.17 34329.3 3938.31 2833.81 7754.93 1447.9 5788.91 3549.63 3697.04 4927.49 7386.24 6493.96 13517.3 10794.36 16597.27 14205.95 2505.18 10449.28 36993.14 15425.81 17269.66 9279.35 6364.45 2683.36 9728.36 12982.5 17064.34 17808.11 9980.11 10289.84 1950.69 2527.99 8728.38 13290.05 10002.89 5090.9 1744.88 2768.46 4441.14 9589.32 6808.99 50973.61 9122.47 262.7 514.92 221.7 512.34 244.95 366.1 211.28 362.99 341.12 204.98 231.17 183.14 245.84 368.91 286.73 487.39 271.78 400.01 817.16 288.84 394.6 510.83 0 332.87 207.56 299.13 0 0 178.93 2-Phenylglycine 1503.59 2175.55 1910.53 1217.51 1211.95 1636.07 0 1360.3 1247.03 1306.72 1206.9 3086.62 1488.05 1342.84 761.48 2294.35 2381.95 3457.41 3455.96 0 1581.57 2961.32 5150.06 1974.22 7756.56 2467.33 4198.24 8190.19 3459.55 4753.39 7682.8 3317.46 1802.21 3590.61 6490.13 4104.23 6665.61 9938.54 5878.46 3056.99 1956.92 4025.67 3751.58 5339.56 2789.05 2582.36 2396.51 1341.54 8484.35 7610.16 9040.69 7368.29 185.68 18.4 166.95 176.37 353.03 0 87.06 41.23 102.71 54.13 14.37 137.02 171.17 113.79 348.94 263.82 347.8 91.12 266.87 230.89 119.23 157.25 0 105.94 4.43 125.06 180.89 162.58 227.77 3-Cresotinic acid 5032.23 6461.08 3618.29 5474.13 6704.22 3151.92 7545.07 3959.12 4050.81 3529.39 7986.1 3814.51 7167.86 2992.08 5160.71 5418.53 5423.25 9556.94 7691.99 6980.75 9971.79 7492.5 7437.01 7695.59 3973.27 7982.83 5866.63 8689.46 6933.73 5023.39 6081.28 3982.79 4424.82 7063.66 4339.23 8069.32 5315.9 10908.42 6465.26 4797.66 3199.03 4608.1 4443.88 4479.46 10268.59 2732.39 5312.84 2798.96 7133.31 7244.93 10067.91 12191.39 62168.18 74706.7 46222.04 54847.45 49284.88 58902.75 55546.59 70015.77 74357.78 44358.39 43763.36 70288.09 46811.14 70290.79 93351.56 87438.02 84722.38 75030.77 59744.43 78110.62 65897.34 61679.89 10075.35 9330 11120.51 11774.18 3335.62 6420.67 3137.97 3-Hydroxyanthranilic acid 36675.02 33087.46 19897.03 43845.96 46356.89 27023.96 25387.24 29113.29 27645.82 20020.02 38450.46 21471.57 8131.92 19572.95 7447.27 37784.52 33433.38 16321.81 8308.01 18313.78 26977.42 11766.85 32512.59 17425.59 37463.18 11574.56 29023.97 28206.52 16723.16 29001.24 40563.7 21764.57 19742.51 27286.57 18262.95 22169.33 31570 18503.52 6152.85 12633.12 7486.58 26078.45 26835.6 12876.91 2893.15 14665.58 16621 6897.52 26965.85 12896.55 26960.67 9531.93 13993.79 12818.61 7288.36 17452.88 18666.65 12035.58 9614.9 803.34 17480.69 12415.68 17019.46 11686.12 3679.76 8033.63 7827.78 19802.01 15803.74 8543.15 5235.74 10458.4 13850.02 4808.83 2357.99 515.93 2833.94 1502.42 1045.82 1234.36 1578.63 3-Amino-5-hydroxybenzoate 36675.02 33087.46 19897.03 43845.96 46356.89 27023.96 25387.24 29113.29 27645.82 20020.02 38450.46 21471.57 8131.92 19572.95 7447.27 37784.52 33433.38 16321.81 8308.01 18313.78 26977.42 11766.85 32512.59 17425.59 37463.18 11574.56 29023.97 28206.52 16723.16 29001.24 40563.7 21764.57 19742.51 27286.57 18262.95 22169.33 31570 18503.52 6152.85 12633.12 7486.58 26078.45 26835.6 12876.91 5985.06 14665.58 16621 6897.52 26965.85 12896.55 26960.67 9531.93 13993.79 12818.61 7288.36 17452.88 18666.65 12035.58 9614.9 723.26 17480.69 12415.68 17019.46 11686.12 3679.76 8033.63 7827.78 19802.01 15803.74 8543.15 5235.74 10458.4 13850.02 4808.83 2357.99 515.93 2833.94 1502.42 259.23 305.18 230.66 3-Amino-4-hydroxybenzoate 36675.02 33087.46 19897.03 43845.96 46356.89 27023.96 25387.24 29113.29 27645.82 20020.02 38450.46 21471.57 8131.92 19572.95 7447.27 37784.52 33433.38 16321.81 8308.01 18313.78 26977.42 11766.85 32512.59 17425.59 37463.18 11574.56 29023.97 28206.52 16723.16 29001.24 40563.7 21764.57 19742.51 27286.57 18262.95 22169.33 31570 18503.52 6152.85 12633.12 7486.58 26078.45 26835.6 12876.91 2893.15 14665.58 16621 6897.52 26965.85 12896.55 26960.67 9531.93 13993.79 12818.61 7288.36 17452.88 18666.65 12035.58 9614.9 803.34 17480.69 12415.68 17019.46 11686.12 3679.76 8033.63 7827.78 19802.01 15803.74 8543.15 5235.74 10458.4 13850.02 4808.83 2357.99 515.93 2833.94 1502.42 1045.82 1234.36 1578.63 L-Histidine 644016.69 686478.94 553496.19 720567.94 506220.88 560520.56 596428.69 540355.94 402554.03 340574.06 546448 605042.06 798036.5 903663.5 450702.41 1114474.12 687209.81 649987.44 669851.19 735754.81 692511.25 711021.69 483798.88 603034.31 698573.81 575770.94 36723.47 36763.16 34786.55 43819.64 36281.43 24891.02 24274.24 42630.96 19710.1 46856.11 38437.27 50762.57 26909.64 42935.82 17733.14 31256.4 26404.54 34940.05 33065.7 18342.62 17233.21 15217.34 27162.73 40580.56 44625.36 30878.91 1558.13 1319.17 1204.03 1650.52 1798.15 1721.67 953.42 1022.57 1092.66 1125.11 1446.36 575.17 1478.72 1087.4 1928.94 1920.16 1479.08 656.15 1390.94 1354.65 1383.35 1759.57 1268.51 721.76 627.84 645.19 0 1106.07 1280.31 Allantoin 74129.31 55865.03 36997.49 67577.26 43828.78 41930.68 61457.47 49997.82 29195.85 32531.55 97078.69 42621.01 34475.58 53518.77 14258.62 148791.64 90646.12 31918.85 36565.5 55842.39 55813.46 51498.32 35979.84 51144.28 96136.46 33332.87 43968.84 72238.37 33795.05 75492.04 60971.98 44745.27 58071.12 73594.23 20790.25 75233.5 75882.41 46516.7 36797.19 36703.64 40263.59 83322.75 69328.56 47523.5 41028.1 33109.24 28808.01 21685.59 38366.98 58021.97 66576.56 34954.43 6150.55 5864.57 1183.48 7497.38 8152.2 3502.11 5010.87 1592.22 5752.32 9480.08 5174.02 4700.62 2741.04 7550.46 21387.64 20111.93 14472.61 9511.26 9970.03 5725.17 9091.19 7574.92 484.81 178.42 372.72 251.88 0 416.23 532.81 DL-2-Aminooctanoic acid 35229480 13861672 26278336 29779026 18971418 16386621 22259694 15194180 20547360 7129047.5 15897217 15225824 25372602 32777754 11891661 49557108 25154654 22357752 24655944 31581798 25711674 35984096 24476762 21879230 30318282 25692506 66014844 31086442 60912580 55797072 52133216 31235882 26772936 39854584 28917690 29019592 29023194 30418758 38269264 24662320 27222014 37368804 27060906 38954916 39137356 29521776 21050294 27553646 32465462 38636432 37707664 43238832 3407221.75 1430534.38 1117709.38 4142158 2174565.75 1645939.5 1357302.12 7565.1 2405481.75 1431964.88 1129831 1691058.62 1580102.12 2004133.88 4872235 3415265.25 2354305.75 1693004 3541610.25 2942165.75 2415138.75 4053022.75 228295.17 149123.75 248608.5 300596.59 1958.7 6672.4 22342.95 Aminoadipic acid 118986.32 172650.77 111593.47 161182.7 149281.44 146213.44 150977.2 122346.12 102136.04 60337.38 198274.45 134481.19 114605.6 128824.73 71431.4 225566.58 202991.5 139557.67 103991.52 166655.44 191217.86 129287.71 149350.44 120213.94 274638.78 113980.99 112823.01 206210.88 105556.97 176458.08 160494.17 128897.82 53162.27 176765.55 99572.16 107883.29 84500.47 117488.81 100955.44 103383.23 88461.38 73061.35 138808.59 125573.19 114289.98 104058.21 85282.16 31335.37 129883.49 101863.25 153841.33 88446.59 30149.06 41559.51 10121.34 35457.55 65448.02 24429.16 19957.8 3279 36622.4 29770.91 19378.87 36609.1 27048.73 25808.54 68671.23 41963.74 60193.16 46506.58 54128.75 77618.82 42399.98 58515.11 4544.67 5243.77 6700.81 5157.38 5285.31 3600.22 3908.92 L-Carnitine 140868832 222219344 189042864 190769344 142767696 183451056 247766416 140820272 237845392 129276264 197368784 233851280 298290240 287191040 172973280 277631872 249164656 243950912 263427504 295925600 253319568 262016976 279452288 222024720 297350112 252707264 238919344 482402688 452348320 490004256 347229536 504972192 434027776 416771584 419466240 351735392 398923232 381759648 461876640 358094240 420308768 432710880 423190784 446351200 397841632 365864864 360885728 361766432 399772544 418995232 448147328 470713760 5284135.5 14386967 4237368.5 13227043 5244005.5 12231859 14843505 68594.77 21945108 9317118 4203895.5 21886446 15533115 9111567 24876822 16149403 14067700 15178916 27836682 22678410 21788744 32746414 1104457.38 562076.62 1592780.62 1325943.12 14351.33 211269.52 695406.56 2-Hydroxyadipic acid 147333.86 140618.55 131227.48 93047.85 107193.05 134200.92 145651.64 94280.84 99516.79 67758.12 117552.85 138734.83 115665.35 158385.94 87113.79 168261.33 128333.69 139061.02 131980.94 160354.83 129369.73 135211.67 160332.53 107000.31 186668.89 103764.78 22403.69 63198.51 61992.38 41040.67 32173.77 63372.27 78024.24 69757.73 61859.09 55686.75 30656.67 52924.03 78096.24 156086.19 38098.27 50184.45 37627.44 91862.09 82775.76 46022.85 43026.46 36894.5 42025.67 60622.86 87780.91 51515.75 1592.53 3133.62 869.44 710.22 1194.36 927 634.76 798.69 57526.67 833.14 402.04 492.33 532.07 772.32 836.33 988.44 1027.7 493.24 587.57 1082 552.61 718.95 533.91 579.32 1164.78 417.39 131.33 339.63 160.41 3-Hydroxymethylglutaric acid 147333.86 140618.55 131227.48 93047.85 107193.05 134200.92 145651.64 94280.84 99516.79 67758.12 117552.85 138734.83 115665.35 158385.94 87113.79 168261.33 128333.69 139061.02 131980.94 160354.83 129369.73 135211.67 160332.53 107000.31 186668.89 103764.78 22403.69 63198.51 61992.38 41040.67 32173.77 63372.27 78024.24 69757.73 61859.09 55686.75 30656.67 52924.03 78096.24 156086.19 38098.27 50184.45 37627.44 91862.09 82775.76 46022.85 43026.46 36894.5 42025.67 60622.86 87780.91 51515.75 1592.53 3133.62 869.44 710.22 1194.36 927 634.76 798.69 57526.67 833.14 402.04 492.33 532.07 772.32 836.33 988.44 1027.7 493.24 587.57 1082 552.61 718.95 533.91 579.32 1164.78 417.39 131.33 339.63 160.41 Phenylbutyric acid 32267.86 29159.95 34489.31 31805.26 12314.73 38382.09 25081.23 20157.69 22604.87 15300.98 36373.41 32005.33 29973.91 26801.42 35915.16 30442.96 28451.94 32591.14 22677.81 36400.4 33454.88 37473.48 29173.94 30261.08 37650.6 22812.97 29095.09 42400.54 29030.51 35328.58 40456.04 34540.75 20556.43 27218.03 29653.38 27321.05 25299.69 26495.57 26759.38 9000.56 55017.53 27017.55 25938.11 28633.56 23038.76 17412.26 19353.99 14238.24 26536.11 27441.43 33535.23 40738.16 265189.88 309924.78 151299.42 304220 222985.8 208352.62 199714.12 342002.53 374617.16 195744.38 194824.27 315658.47 188005.69 293482.5 398869.62 387354.84 351847.91 313457.16 366733.91 294808.16 306492.66 269223.22 35928.34 29095.61 47686.45 47320.21 12137.67 17466.42 12227.71 Methionine sulfoxide 50037.74 50798.61 64071.72 48910.12 55272.07 45267.79 53862.29 35421.19 15348.79 28527.18 24572.29 24129.92 29765.21 39246.69 33229.33 34558.68 37148.09 36061.62 21639.92 74458.68 40762.66 47677.55 16024.64 35522.73 45068.09 13692 14471.23 31733.12 25605.43 20851.57 36138.75 34209.82 29418.34 14296.49 14296.43 15272.36 17700.31 19072.92 38537.21 28827.71 27025.1 31567.49 33546.32 10756.58 38361.67 79173.29 18963.35 25039.98 11966.41 30247.99 47634.51 37300.67 9412.84 9542.18 6044.42 9322.35 12528.71 8326.79 15541.04 12552.68 12713.07 5213.11 3916.51 5534.47 8692.23 6255.55 10960.67 9830.56 10555.2 12852.69 13384.65 46231.02 13650.69 11615.34 2191.24 1320.4 1477.8 1520.52 1248.43 6301.77 5367.96 L-Phenylalanine 4248862 3834123 2388710.5 3337205.25 3391111 2596622.25 2105727.25 2835673.25 2401753.75 2156337.75 3034456 2534463.75 3852312.75 2505374.5 1210434.88 4511050 2900145.75 3775638.75 2342140.25 5326292.5 2675477.75 3639697.75 3525121.75 2860111.25 4155378.25 2017774.5 2677235 2664549.75 2048807 2592940.75 3107041.75 2063158.38 1442994.38 2663944 1684163.88 3114913.25 2167588.25 2435775.75 3144957.25 1491596.38 1504457.62 1871628.62 1761328 3284467.25 1974099 2638203.5 1436669.62 1689392 2503922.75 2205187 2457618.75 1618491.5 438637.38 445595.38 148919 496817 485041.66 328927.47 259411.86 8865.92 496321.53 411637.66 228506.83 430618.41 538919.81 340378.16 558753.81 573832.56 549310 784272.69 638236.94 892032.69 549380.06 797733.31 40690.79 25995.34 50361.75 34249.34 1634.05 6074.18 2631.29 3-(2-Hydroxyphenyl)propanoic acid 6788.94 10212.2 10473.59 5254.19 8262.31 5057.94 10362.3 8830.68 9060.35 2638.04 10941.83 11713.9 8576.91 9713.96 11711.46 10509.77 11069.39 13328.47 6459.68 10628.48 12535.95 13334.07 6485.79 12043.04 12746.04 13113.2 10505.76 13319.42 13376.15 10469.57 14395.12 6922.7 7649.92 11092.44 10805.99 13667.93 8603.69 10643.44 10425.77 8422.06 8865.28 10119.49 9048.91 11808.21 15878.4 3444.39 4199.11 7819.44 11873.41 15016.31 19145.08 17840.64 225477.25 273425.66 142331.61 249936.69 202102.95 180984.25 192106.2 264717.22 316384.25 167224.42 169957.33 259835.88 161104.95 233787.08 303692.09 310791.56 314906.09 264572.97 241381.08 307171 242721.17 257818.12 29766.99 26887.43 43753.62 43761.81 5075.75 9550.56 4998.85 Phenyllactic acid 6788.94 10212.2 10473.59 5254.19 8262.31 5057.94 10362.3 8830.68 9060.35 2638.04 10941.83 11713.9 8576.91 9713.96 11711.46 10509.77 11069.39 13328.47 6459.68 10628.48 12535.95 13334.07 6485.79 12043.04 12746.04 13113.2 10505.76 13319.42 13376.15 10469.57 14395.12 6922.7 7649.92 11092.44 10805.99 13667.93 8603.69 10643.44 10425.77 8422.06 8865.28 10119.49 9048.91 11808.21 15878.4 3444.39 4199.11 7819.44 11873.41 15016.31 19145.08 17840.64 225477.25 273425.66 142331.61 249936.69 202102.95 180984.25 192106.2 264717.22 316384.25 167224.42 169957.33 259835.88 161104.95 233787.08 303692.09 310791.56 314906.09 264572.97 241381.08 307171 242721.17 257818.12 29766.99 26887.43 43753.62 43761.81 5075.75 9550.56 4998.85 L-Fucitol 420840.09 386264.62 235459.38 334098.06 336929.28 259530.73 204864.14 282031.25 235028.61 214966.75 301578.47 257418.58 396369.59 251277.86 108358.15 454661.34 294479 376794.47 241333.69 538295.69 264071.72 362609.41 358248.66 284084.41 428461.47 200828.42 268134.91 261973.75 196873.38 272325.06 314798.09 202882.55 136822.23 268316.16 157832.55 305164.47 214282.45 233858.62 319880.12 145242.83 148134.89 183543.17 171065.98 338671.72 198716.12 271305.62 137222.55 163573.05 258880.25 217209.92 243282.77 153670.5 28470.66 36066.5 9940.46 39737.81 38103.18 23332.04 16830.67 1120.32 40841.11 30375.21 14437.33 33557.06 46355.86 25301.78 45489.06 49798.39 48387.63 69802.09 56700.18 80395.46 45360.48 72830.2 1974.98 1285.28 1978.97 1887.55 1290.09 1202.65 999.25 N-acetyl taurine 19897.76 15544.99 17098.51 10331.91 28748.48 19468.3 14130.63 22426.21 16696.9 23432.91 16434.52 6083.23 9472.16 7617.1 8283.44 23264.93 12069.34 13648.1 10162.06 14142.11 21196.56 11346.46 25850.5 17780.76 29018.67 13877.19 15615.36 12473.91 15749.15 11718.39 23526.13 13437.09 5219.3 16026.61 13899.1 18471.2 16182.56 15692.79 8048.16 14109.34 8340.92 9401.85 14337.03 8677.57 8302.29 13510.25 14499.44 12299.68 21548.36 8753.28 20560.3 9212.28 1482.23 1495.36 530.5 2702.55 1648 1507.98 748.25 436.41 1540.31 1556.25 1572.77 752.12 912.78 1554.45 1777.35 2009.33 1719.63 2278.6 1278.15 1205.47 1673.64 813.16 1287.8 558.46 1515.68 413.81 132.75 193.97 1744.29 Taurocyamine (Guanidinoethyl sulfonate) 1826448.38 2261582.75 1308611.12 1792581.62 2274078.5 1657230.88 2434089 1807008 1419752.62 2242684.25 2652246.75 2454210.25 2094823.62 2261624.25 1339212 3488481 3036654.25 2395392 1892981.88 2047374.38 2159373.75 2204974.25 1484875 2540381.25 3397534.25 2251590.25 2066559.88 2684677.25 1559207.5 1839999 2769504.25 1786045.62 2459922.25 2101473.25 1487286.5 3290035.25 2946562.75 3175085 2253466.75 2170704.25 2139749.75 2584067.5 2990998 2517928.75 2202927.25 1871648 1789652.88 1802013.12 1500085.38 2706996.25 3027819 2617010.25 9524.55 9562.92 1237.99 5618.26 10635.42 5060.2 8519.8 501.63 7354.77 12192.54 7216.77 12026.87 6908.74 7534.54 16134.93 15346.18 16341.3 11599.69 13952.02 9963.32 9264.43 13499.4 705.13 925.4 1554.28 1650.35 0 212.8 924.17 Pyridoxal 18340.73 16991.77 16600.44 18325.06 18041.29 15942.3 14187.56 9962.95 12937.4 11590.53 11136.12 17837.59 16830.55 11073.3 11047.44 14138.61 10453.81 21408.79 13494.52 16032.92 13604.61 20026.38 14662.55 16288.95 9004.86 12779.48 12366 14411.9 13360.64 15845.17 17454.96 13947.12 11509.8 10897.4 14227.18 13965.24 10854.36 15057.29 13188.84 8352.75 13079.48 12178.69 12130.81 15017.31 16288.3 15595.07 14835.44 15468.7 12187.65 15656.41 14511 14422.44 15567.46 26131.19 9244.14 22730.59 25773.38 17398.14 20260.22 4053.45 41958.71 24226.14 15616.69 34947.47 42929.76 24883.51 25895.52 27868.58 24896.08 51510.83 34356.94 43260.15 23931.76 35071.42 6713.12 5795.02 5873.35 4612.41 1558.79 1369.73 1753.62 Phosphoenolpyruvic acid 74449.46 144305.81 44436.08 91333.05 86438.87 157848.3 137373.89 46911.3 72417.8 16437.17 95480.02 75052.68 75877.15 74017.99 60927.84 138165.73 156131.25 70430.41 102070.34 119657.04 73350.91 122981.9 145646.88 58395.87 114138.87 100503.35 23952.96 75035.55 97435.27 53796.7 46984.93 46897.57 65534.11 63164.59 62851.15 43802.76 52158.52 39576.36 64357.83 29236.78 27827.23 55733.5 38941.4 87825.13 58670.86 42111.54 37999.2 21037.39 52579.75 56810.79 59225.07 46712.2 0 0 0 0 199.42 0 0 0 0 471.21 0 137.88 0 0 191.69 0 160.99 0 0 0 0 0 0 0 0 0 0 166.85 147.61 Methylhistidine 828051.25 937100.5 658221.44 876936 516964.53 581779.81 591094.88 620383.69 351565.75 308270.75 595466.75 604799.81 598164.81 1041943.19 443327.09 1129480.38 787466.56 749254.06 832961.69 606981.88 615794.88 818494.5 378031.5 913629.44 804736.5 950259.94 673850.19 658542.25 401859.22 612734.69 709825.31 481109.75 408052.59 600866.44 266374.91 594736.44 550629.75 662072.56 515324.84 832035 543003.75 448073.62 482951.62 652766.19 712264.06 494818.28 478582.28 589755.75 345528.75 792959.31 519429.91 583757.75 245960.7 245296.45 44627.17 243867.19 265321.62 153366.09 120977.27 1326.98 192449.08 197082.86 123814.8 235657.36 156048.11 277786.78 429952.88 271517.53 285106.34 314259.66 396035.75 332979.19 209793.62 405073 9182.69 11874.73 15100.78 18055.38 1011.26 2017.05 1734.57 GAP/DHAP 382504.34 822750.81 309320.34 414448.75 436799.38 490090.66 509995.84 251618.88 281474.34 142042.98 304153.41 319701.16 314307.91 290096.91 174694.58 643308.44 501505.38 301243.28 352155.91 471426.59 350630.59 517379.59 469442 238037.89 485520.34 330032.84 145171.39 437198.78 568190.81 258813.58 136802.11 249986.44 276675.5 269067.31 286447.59 213747.02 225554.64 249264.61 279605.81 133526.94 126644.41 233629.89 136959.77 356121.78 278889.62 171274.28 233362.33 109507.97 243759.83 223091.75 337153.19 271236.91 1063.28 595.6 759.33 142.59 260.57 510.3 212.07 313.22 160.06 290.07 260.53 425.57 150.53 399.22 175.4 180.95 198.02 0 255.11 205.51 210.68 257.19 155.83 159.69 0 0 0 1245.27 1632.47 Glycerol 3-phosphate 17846256 21126238 13485176 16875666 12616143 14660049 17139538 10140527 10592421 7545030 19661370 16568845 13377615 10712309 6075625.5 19443898 14569081 13454129 13060835 18342512 16030901 17183934 18008286 12434357 22175682 14835851 6554878.5 8931587 8075659.5 6712300 5618040 4304447.5 6796290.5 7076100 6049550.5 7999816 6313352 9519093 8602105 3130988.75 2626894.75 5559182 2808961.75 7331706.5 5263026 4420821.5 4035544.25 3173501.25 6366198.5 4689546.5 7790905.5 4485682.5 6307.76 7872.95 2475.54 6549.71 10400.82 5407.81 5889.43 626.97 6813.12 8326.38 2907.87 7454.71 5065.19 7430.54 12791.12 18446.49 14154.11 11572.4 14743.96 11391.88 12561.57 9881.58 817.41 554.67 1268.3 1094.34 184.27 5858.27 6956.07 Aconitate 197983.25 237247.33 136012.55 188026.67 135855.64 180367.14 182672.86 114532.71 95578.35 76098.94 227214.75 184640.75 170107.75 117718.66 77328.27 230624.12 170441.12 157526.97 153786.25 207496.55 195237.19 196727.17 219225.42 143116.12 268009.75 170610.69 69340.84 108219.5 101303.91 74434.9 47575.41 44087.2 66295.82 78500.02 60461.86 89602.41 57733.02 99890.62 101732.62 35352.52 29048.41 59672.84 30939.02 80065.8 59379.48 53728.89 43318.54 25702.12 73695.28 40090.25 87418.63 45788.3 0 0 0 0 257.09 0 0 0 204.9 372.33 0 205.87 0 172.06 502.61 886.37 217.85 257.03 249.54 258.27 266.54 340.56 0 0 0 0 0 0 0 Suberic acid 18984.2 4770.61 4587.7 7161.14 4341.95 6581.13 5570.16 5757.45 7434.86 7010.17 7489.76 10589.41 6290.95 6615.84 14620 4892.88 10207.2 9163.44 5121.69 5801.65 4210.55 6164.71 4013.51 5651.27 7946.61 8989.37 4817.08 3570.15 5013.43 10280.05 10014.66 8821.94 5926.29 4529.5 7321.61 5374.78 8670.1 8657.7 9431.85 2873.68 11790.43 6738.1 6937.17 12399.96 6434.26 4957.96 5230.09 6601.9 3506.56 3755.19 10958.75 7399.05 60203.27 79630.35 35021.87 72352.8 57080.77 56453.72 55317.22 63273.19 87356.9 51384.47 52817.54 73838.18 48734.93 66329.98 79470.01 88321.8 73016.14 61596.82 77174.55 90120.21 59957.12 81838.18 10289.49 8621.9 11932.8 12483.13 8092.04 3432.69 4094.74 N-Acetylornithine 34410.61 20143.48 36719.5 51036.31 35652.13 14562.68 46816.76 34066.09 24790.82 22291.03 58642.19 52449.34 130415.26 88192.98 30298.47 141886.11 95687.1 19526.37 95308.53 27090.91 27398.83 21550.49 32885.89 66606.78 55668.68 63061.5 13136.39 20868.7 8334.33 18729.71 22678.48 7252.37 21595.25 26918.13 9435.45 42210.21 25242.97 39004.97 71654.2 25884.96 57040.36 44863.67 32602.31 21067.35 76521.09 13494.71 10702.73 35208.57 26848.19 63687.99 30423.51 26909.95 6193.99 7106.35 3163.53 8210.46 11549.49 4902.22 7049.29 935.94 9284.71 8768.78 7010.49 9133.05 22996.18 11550.75 26403.41 19016.44 17754.74 12037.04 25105.76 12026.89 8291.83 16058.42 2006.65 2201.46 2122.17 2054.59 829.44 1486 1616.17 L-Arginine 8210341.5 9130241 8844551 7248773.5 7243601.5 7826186.5 5908350 4811173.5 4740299.5 3276550 8852487 9004679 9928429 9550608 7224368 16660147 10686200 11355792 6812449.5 8834913 7748780 10060931 9676323 9488844 17496920 8759483 9250239 11069679 9856451 10874887 12944491 9126713 5655098.5 9537664 5148001 11502649 11894939 11543580 9993351 6219449.5 6159777.5 8007426 6998138.5 12589860 7773692 3847605 3586312 4170122.25 7707301.5 10842238 9530564 9166173 621431.56 741251.5 280213.56 823606 537343.5 395303.5 414031.28 18448.14 466566.84 278529.19 308140.66 311896.78 388685.41 364615.75 904090.19 866849.81 760334.5 547178.94 479056 824548.69 576934.06 968889.31 48667.95 43011.98 53467.7 57902.31 3134.44 16502.7 12766.67 N-Acetyl-L-aspartic acid 57554.33 55466.54 38315.76 54336.35 41806.83 40294.81 41481.86 32861.83 34628.62 32046.08 40015.4 47504.52 30714.52 32245.35 23092.49 102084.76 39136.42 28595.13 33455.02 52172.93 32447.14 39903.66 34110.89 28640.64 37633.25 46148.56 25359.11 33240.17 27028.68 39180.5 38425.06 45473.23 13480.04 29857.78 15877.8 23159.87 16664.6 28616.22 20891.88 45776.89 21571.94 19317.96 30006.78 27507.85 23878.92 18249.27 10957.17 17103.08 30901.99 20095.16 24432.24 18911.69 1624.13 819.97 226.39 1034.18 1008.63 707.55 178.19 0 520.75 1819.68 984.35 523.01 199.57 1211.17 894.52 1626.73 1740.99 1080.88 409 443.72 836.59 817.21 0 0 152.68 0 0 0 0 Guanidinosuccinic acid 119177.31 82803.3 51173.01 61796.98 76416.78 37930.61 2039.08 71966.94 29450.55 50093.33 5740.97 3333.71 1380.92 2057.26 689.32 3408.74 987.44 1269.37 1645.66 1608.08 0 1579.21 1746.73 1423.9 2007.98 1009.54 1496.92 2148.74 1056.24 1359.85 2732.71 1132.13 25911.38 3306.38 0 1769.43 2112.52 1925.72 0 33362.43 28887.33 995.54 37761.07 1232.97 927.84 36769.29 20736.81 22089.29 3330.26 1125.12 1190.57 2172.7 11396.09 9072.74 3612.48 12689.95 18382.72 5729.4 5336.03 689.39 8561.22 15965.43 10722.9 10334.18 9708.86 11224.2 12886.11 16437.78 16172.87 31842.21 18261.18 17211.71 13082.59 18491.73 1093.68 705.44 1153.65 917.95 0 197.16 138.18 Citrulline 2219531.25 2890278.75 1417041 2305829.75 2302197 1885241.5 3249691.25 1981573.88 1780101.5 1281184 2579236.75 2078343.62 2329183.75 3324911.25 1534440.38 5167378 3755281.25 3153255.25 2751077.25 2588125.5 3026582.25 3208821.25 2691470.75 3879552.25 3471580 3919400 3346202 4436379.5 2982903 3467034.75 4466778 3180398.25 3714795.25 4172241 3184620 4462303.5 3635968 3562883.75 3504119 3247190.75 2492262.75 4783307.5 3949443 4405927.5 4021264.75 2557582.75 2328436.75 2095464.38 3366609.75 5347373.5 4217645.5 4578099 381471.62 540889.44 114587.77 448615.62 528638 256404.95 352671 21250.56 591072.44 404460.75 242788.05 370616.25 358704.41 517079.59 821280.81 911190.25 713443.5 558151.69 828667.44 650103.25 595622.44 818204.75 41801.57 39673.66 53451.48 47779.03 175.37 1043.31 1565.29 Allantoic acid 1062.98 1235.62 789.72 894.76 1097.73 1617.28 1512.45 562.88 1378.8 531.97 1314.08 1323.54 2589.63 1632.27 1063.39 1873.09 1698.24 1993.7 1868.88 2688.92 1798.51 2472.38 1300.14 1802.76 1877.24 1112.06 1506.44 1958.77 1583.51 2455.26 1911.43 1433.16 1415.9 1784.06 1166.34 2122.69 1846.65 2315.72 3321.03 1200.08 969.28 1844.64 1600.71 3026.69 1895 2313.09 1632.87 1610.02 1365.29 2074.51 2017.34 1437.28 1217.21 1208.33 179.94 998.3 622.65 547.97 220.7 458.14 591.08 860.7 197.02 1310.03 914.24 1136.61 1084.32 1327.54 1005.81 2336.61 2108.24 1064.22 562.13 1625.04 199.68 236.2 185.58 167.41 167.13 0 150.43 5-Phenylvaleric acid 31646.61 14280.74 8461.42 28484.63 23811.16 10271.74 25147.67 11459.84 22348.23 9947.14 15586.16 31314.62 31093.19 12762.29 36262.26 29379.04 28008.63 29686.24 26816.19 26804.84 17095.84 28208.09 27237.02 29313.96 27340.35 28344.41 37476.75 34855.74 32146.55 30304.29 33118.38 24496.48 27670.77 20467.72 8656.24 29817.58 31199.2 35339.59 15621.08 15378.98 25949.2 23149.13 19348.79 12999.1 29541.54 8237.16 9657.2 12218.47 23795.47 31673.8 32458.7 42082.07 248346.39 279847.47 157409.86 290838.16 214099.95 197157.02 208748.92 306758.41 338694.28 193471.23 174348.19 297805.72 197965.17 246043.17 321837.28 357047.25 340491.75 253906.38 310038.59 319376.09 284309.22 269672.28 32728.47 29537.09 47598.25 42010.89 24528.67 33022.57 19660.93 Hippuric acid 9212.07 8788.3 6901.13 7582.94 10622.19 8298.6 5968.12 8584.04 7693.19 9502.96 10487.7 7395.46 8175.98 6058.96 5744.17 6729.2 6201.58 7140.86 7657.11 6849.66 7027.66 7908.18 7097.69 7775.69 7096.75 6156.86 7043.59 6740.65 5012.83 7511.8 9584.72 9120.51 6859.23 6037.14 7431.12 8480.2 7068.22 7007.29 6891.57 6663.06 6872.31 6962.73 3132.71 6078.55 7062.63 10790.03 8808.53 9350.95 7427.44 5225.34 5825.56 6242.46 2687.92 3311.63 1175.45 2768.05 3406.74 2045.98 2122.16 746.24 4637.58 2743.22 978.38 3108.64 4015.9 2802.11 3851.55 1475.86 3724.9 4694.17 2726.82 3633.54 2157.72 4019.07 372.67 467.88 428.81 671.47 345.96 387.77 379.98 Glucosamine 268277.81 262911.81 352975.03 244319.88 189526.92 336825.84 370149.5 174284.05 171872 124352.75 286929.88 293407.47 288026.03 290630.03 171459.2 419004.38 262537.16 278890.41 306469.19 495233.53 329981.53 390015.59 429129.03 208406.38 541823.94 251571.2 47802.25 135388.27 221813.75 87985.21 44626.51 139680.88 162379.48 128326.84 114045.94 81525.57 53258.47 75364.9 185332 71164.13 76909.81 119188.5 82608.66 228437.36 118825.22 127645.75 115910.26 77031.77 111866.24 94655.75 135876.41 89173.07 6854.72 7154.66 5694.58 6471.9 5193.05 5817.38 5805.48 5289.79 6275.75 5235.45 5313.43 6744.06 5588.75 6431.53 6484.15 8385.02 7166.73 6434.14 6728.82 7464.95 6097.91 6484.29 5502.74 4833.93 5564.16 5293.66 3765.32 1067.86 1017.45 3-Methoxybenzenepropanoic acid 12470.48 13663.1 13192.19 14238.36 14023.62 12309.54 8551.87 9011.59 7324.55 3174.64 10402.66 15234.11 14763.95 14618.41 16073.85 13738.55 16592.61 12761.73 10098.46 14968.23 19791.55 9301.51 18788.1 9359.96 17489.47 7873.98 17049.5 14496.92 17440.37 13984.1 20957.29 13157.02 11409.9 14447.8 12622.16 12242.2 11392.76 8366.9 8896.23 10473.35 14717.47 14091.45 11480.38 11902.96 14017.71 7545.39 9308.37 8765.85 11789.7 16406.15 21053.49 29153.49 192333.19 255058.48 109960.37 231936.31 164648.36 156128.33 153608.98 234847.2 281215.38 144118.3 134105.39 224611.12 144356.75 230903.86 295942.81 290153.03 259983.95 220852.86 251757.62 239681.52 241101.88 236412.48 25716.6 19897.94 29911.95 33129.02 14049.12 25957.15 7935.96 L-Tyrosine 422648.16 751078.25 303532.22 591433 144661.16 323058.41 712128.75 122488.27 504424.5 14906.23 576835.81 877291.25 1276400 734650.44 293831.56 1356228.38 649278 1611305.5 841018.81 1886701.12 1027605.25 1228799.12 989527.81 748196.69 961536.19 670970.06 460454.5 839112.5 565945.06 641978.44 785559.81 366862.91 195412.12 574996.56 787750.19 624186.25 486651.84 989484.69 1144313.5 51210.19 44645.23 385394.09 195269.31 1298681.12 959881.44 66156.96 37103.48 21774.79 612874.94 806621.81 711511.06 564274.75 1426.1 2302.59 974.1 2174.56 1322.81 919.38 1386.45 492.16 3226.69 1184.61 1802.49 3038.57 1899.3 1380.96 3300.97 2796.28 2580.1 3987.22 3827.22 7498.78 2855.97 4715.17 648.46 1224.94 670.32 581.21 1230.19 1428.37 752.4 Methyl vanillate 3485.45 3607.38 3515.69 3406.28 3360.34 4845.06 4955.87 3092.81 3013.7 2479.1 4722.29 5417.98 3230.24 6479.74 4829.55 5886.65 6117.25 5555.32 4342.63 4675.87 3832.82 5140.11 4751.59 5099.73 4408.35 4733.86 1983.5 3410.8 5156.33 5727.89 6056.12 2993.54 3939.87 3164.04 1964.45 1746.44 4041.94 1975.08 4007.19 3396.31 3151.69 3690.81 3691.1 3291.44 4535.17 2623.07 1364.14 2140.33 2070.44 2674.24 6120.66 6097.15 70408.72 80766.83 42365.86 80073.95 56307.41 55168.77 58653.25 61240.64 92964.35 50500.8 48989.45 84239.1 48348.53 71197.7 79857.16 89722 81690.41 72716.38 95301.1 88640.45 59907.84 64258.44 10016.84 9246.57 12596.02 12198.92 5060.13 2573.01 3850.14 Phosphorylcholine 4357063 4979818.5 3882018 4770292 2547118.25 2803858 3080267 2589257 3379975.25 1581936.38 3094620.75 3973479.25 2444681.75 3499773 912344.19 5809021.5 3657911.25 3246498.75 1958552.38 3891367.25 3972267.25 4397610.5 3296835.25 2608202.25 5574669.5 2759240.25 3296221 4314576 4126477.25 3507337.75 3868964.25 2856052 2002546.12 3577065.75 2256922 2903755.25 2858763.25 3265091.75 2338609.25 1933765.12 1313919.5 2964951.25 1965760.62 2990493.25 2247680.75 924297.56 1395550.88 1144750.12 2926432.25 2712159 3206042.25 2690704.75 13638.48 13194.98 6060.48 7470.09 10110.14 8110.56 5139.61 1300.22 4850.53 18829 5039.7 11149.01 5594.88 8883.31 8412.43 7285.84 9629.64 12941.33 9043.69 7954.14 8339.78 6923.69 835.98 286.48 1113.76 311.71 251.12 23045.8 12392.84 3-Phosphoglyceric acid 44439.25 69132.16 41492.44 58684.1 34381.59 63443.23 84449.53 27721.83 44751.73 17703.71 68946.03 59282.46 48813.05 50306.11 24700.31 93021.15 61832.21 50729.43 46184.61 53737.05 53906.04 73894.21 60444.47 48985.76 109905.46 77194.75 99014.79 157602.11 118726.05 132744.17 111725.62 76204.28 57465.47 137180.02 67753.3 114842.66 72356.07 181701.02 89179.31 44259.47 53053.05 72737.03 59649.22 116556.13 107025.56 32190.54 45492.19 20896.34 72832.66 179068.56 134397.47 86771.09 44636.79 43928.43 3889.44 40086.62 31411.51 31372.02 19572.21 0 70016.2 15642.6 7127.28 38892.12 20678.17 38552.45 92642.44 84998.78 72460.74 43195.61 108155.1 89326.4 56014.58 66942.32 0 0 0 0 0 2083.99 1843.07 2-Phosphoglyceric acid 576838 965941.69 432147.5 657228.81 650754.5 798060.19 829474.94 370060.41 433235.09 169460.42 591758.81 483689.38 740009.94 578862.75 311444.19 1296064.12 957837.56 519522.34 702063.31 885623 771471.5 1140592.62 884464.81 790657.81 829927.81 655327.38 243592.52 701056.19 986786.25 513348.72 431197.72 512024.09 697751.44 673910.75 656360.5 506775.5 564328.19 450747.12 622842 312772.47 260434.62 617663 374624.47 859276.31 616209.5 400115.09 450131.59 238762.8 565003.56 736309.69 583333.44 699426.5 1037.26 698.43 210.88 716.51 229.39 405.17 205.31 0 288.76 680.4 198.39 241.57 266.5 441.94 543.36 455.74 310.85 248.34 313.67 707.7 456.28 231.45 0 0 0 0 0 4193.38 5032.13 N6-Acetyl-L-lysine 79240.96 124298.4 89467.43 79955.16 71948.98 98136.34 114234.99 64239.81 108149.84 29834.07 96544.16 115198.26 191590.25 157562.77 68848.93 452302.91 190605.55 175107.73 152417.86 206998.08 170356.94 196625.73 155138.14 147096.36 317158.97 150943.48 154646.27 291703.47 246104.81 193136.45 306210.34 193515.5 158886.59 194452.55 121631.76 197437.67 150241.23 223027.17 216870.52 74332.79 114101.87 154616.7 114001.95 249414.5 171615.25 80552.77 61821.97 53744.73 123251.72 154389.61 235587.48 162470.92 4996.85 5594.53 2864.77 4678.64 5491.12 4357.97 3726.4 2146.4 5266.51 5640.94 4370.22 5975.4 4971.18 5995.7 6719.17 6471.02 5871.88 5207.61 7768.95 6760.78 6412.21 7216.47 2349.39 1855.27 2389.64 2736.92 1004.87 1060.66 1154.83 Leucyl-Glycine 16025.2 12208.32 8250.58 9909.17 12107.32 8011.68 7636.95 9967.63 6192.8 6510.75 12796.67 6112.05 1905.65 8207.17 3823.66 13488.53 7717.31 2186.89 6005.35 6948.46 7593.11 5509.28 13358.74 9973.85 11521.22 9486.69 4862.64 6530.39 6027.24 3598.04 6193.96 4163.57 3614.57 5208.16 4065.9 5709.53 4844.87 5858.65 3414.84 4143.25 3357.75 4416.63 4189.41 4002.48 2487.98 2798.7 3268.75 1390.15 6364.64 2035.6 6219.94 4819.61 1106.2 1122.97 1684.79 1320.72 1694.38 1266.99 1607.38 1230.94 1087.08 1588.31 894.67 1405.64 1499.61 919.09 2005.73 1755.33 1665.08 1704.34 1510.59 2212.35 1229.82 1244.29 1191.05 1032.21 545.2 966.37 727.24 916.44 977.34 N-Alpha-acetyllysine 79240.96 124298.4 89467.43 79955.16 71948.98 98136.34 114234.99 64239.81 108149.84 29834.07 96544.16 115198.26 191590.25 157562.77 68848.93 452302.91 190605.55 175107.73 152417.86 206998.08 170356.94 196625.73 155138.14 147096.36 317158.97 150943.48 154646.27 291703.47 246104.81 193136.45 306210.34 193515.5 158886.59 194452.55 121631.76 197437.67 150241.23 223027.17 216870.52 74332.79 114101.87 154616.7 114001.95 249414.5 171615.25 80552.77 61821.97 53744.73 123251.72 154389.61 235587.48 162470.92 5606.9 10696.47 3414.38 4998.58 6370.31 4357.97 4736.06 3113.99 5266.51 6100.35 4345.48 6607.03 5089.69 5995.7 10965.59 11478.03 7594.29 6782.59 7768.95 7111.31 8462.22 10407.36 2770.31 3284.74 3650.15 3277.37 1625.07 1021.37 1368.52 Homo-L-arginine 47583.81 65189.71 30297.77 32699.67 48785.69 35773.22 28199.87 20979.13 26116.06 14168.1 34028.2 63879.36 46127.16 50716.77 37753 117381.9 74321.02 85384.7 39760.11 46644.14 49551.15 66774.94 36890.55 49314.54 94991.76 60420.43 65322.06 98234.24 43176.54 54788.57 116229.93 39701.26 27729.64 40619.38 23632.08 60691.46 46764.75 81664.36 49535.12 30317.05 33526.5 46878.49 42728.61 89093.66 43714.06 17357.43 21120.96 26094.05 30596.75 65399.54 49260.51 56255.81 2692.36 3241.55 395.02 1991.64 2512.56 1025.37 801.44 0 1033.01 1032.15 284.09 2178.71 1062.31 1314.27 1720.38 2647.27 2192.72 2493.9 1863.89 1906.51 1686.28 3528.72 0 0 0 0 0 0 0 N6,N6,N6-Trimethyl-L-lysine 895113.5 1021013.69 914068.06 913003.31 586354.38 833910.81 697124.31 602043.25 693958.75 341744.53 880780.19 820162.69 1020728.44 1157643.62 602707.06 1876995.62 1243516.12 1118752 895959.56 1001658.75 1072980.38 980719.44 1027160.69 1144122.62 2218665.75 993881.81 944376.31 1160168.62 1067852.5 1113878.5 1275550.62 1031012.56 576194.56 956012 520760.66 919176.94 1086218.75 1051395.5 916590.25 623907.25 653302.5 723112.31 582584.5 1101370.88 791124.25 402792.34 405124.97 407768.53 501992.34 1151468.38 850270.31 961697.81 25987.85 12381.17 3897.49 13422.5 11371.65 6963.14 8616.65 1248.91 13262.49 11949.31 6562.36 9679.86 6014.85 12040.72 16738.33 18061.17 14012.29 10589.57 11100.18 10437.22 13160.93 11752.01 1139.9 1268.49 1440.96 1520.37 275.98 2296.58 2118.7 Indole-3-propionic acid 7499.54 3419.19 7655.08 5956.18 8297.89 13516.46 6038.92 16390.02 10032.15 5556.78 7559.62 7944.17 1117.03 7270.08 1887.42 16759 0 15794.26 7275.41 16066.38 13548.26 9961.18 21034.88 16847.74 39797.83 26768.99 19322.99 53526.21 16973.4 24358.69 11844.03 62892.04 13163.68 28290.49 32910.34 54009.02 27206.81 32513.83 15212.4 19494.94 10537.28 41189.55 28229.78 56982.49 23327.43 12742.25 19732.37 5760.07 5508.79 33400.79 1186.91 23859.4 1097.91 2102.26 3956.2 5386.96 6326.24 4050.49 5342.88 470.34 14711.39 2677.86 5194.71 4968.57 10606.5 4614.97 10984.59 6574.27 14090.93 11240.09 5892.96 9682.13 10858.07 9073.04 2501.8 1805.11 3899.09 1465.24 991.83 902.04 859.67 Homocitrulline 75037.57 96748.76 78687.68 77051.34 86005.41 94833.79 70731.74 75678.67 55345.69 73048.18 62403.75 61476.03 70325.84 86728.78 36838.09 115464.81 73488.06 75327.85 72405.95 60930.56 44329.93 54864.93 37425.73 73629.41 135156.36 70988.44 34205.59 46627.47 38337.07 36543.21 67510.98 47215.66 27783.08 41320.43 25994.19 44694.21 43431.17 44534.82 53797.79 29936.9 36900.07 39066.68 21971.69 40302.46 57664.57 17338.92 20933.66 25164.63 22276.84 62195.32 51834.14 59434.04 3884.77 8393.2 1378.9 3612.29 5187.52 3309.25 2007.76 265.04 2790.39 3042.3 1855.29 2734.02 4180.12 4303.01 11190.88 7630.56 6874.8 5320.01 8254.7 3807.61 7313.29 4111.3 156.95 413.1 275.48 633.9 0 0 0 Citric acid 1583.48 6249.83 5706.39 1664.55 3311.81 4453.24 7696.55 4756.13 4002.69 3097.98 3251.73 3240.68 3074.13 5501.7 2529.74 14362.98 5169.73 3582.2 4191.41 2262.11 4753.06 3187.77 7143.82 5511.16 9626.93 4462.03 13260.96 16113.69 12939.71 14677.53 20094.18 12539.01 8052.13 16279.66 8789.54 17159.27 19423.07 15112.63 11089.06 7019.96 4439.2 12706.67 5689.67 9822.69 10818.55 4003.65 4578.38 1487.04 8562.06 12168.72 9024.19 11925.16 0 0 0 0 240 0 191.09 0 222.07 0 205 213.6 0 0 448.1 304.74 242.34 239.13 354.09 186.25 0 220.17 0 0 0 0 0 0 0 Homoveratric acid 15015.47 9836.53 8988.8 14891.16 10436.88 9333.27 11431.94 7789.05 10012.18 4451.69 16103.1 12215.74 17319.2 13849.68 7544.87 8789.03 8550.68 12471.25 17607.22 11323.54 11328.3 14715.96 12209.81 18331.68 12468.55 14839.68 12456.16 14396.17 7390.4 13543.12 18850.36 11926.85 9561.38 11494.95 9786.43 13070.95 17235.22 11746.17 12652.46 10008.8 7876.54 12908.59 10174.85 13259.17 17756.17 7929.24 12287.59 7322.64 11545.59 16121.44 17968.09 12515.96 59631.46 75778.71 39195.89 74224.55 48386.21 58672.87 60534.5 75992.13 77610.02 49116.9 45229.39 72825.48 48175.78 70214.09 97209.57 89063.09 94003.91 89985.09 75931.88 79553.52 70568.64 76492.04 9899.81 8833.66 12452.49 12508.69 4967.54 5352.62 2796.88 Cysteine-S-sulfate 0 0 0 0 0 0 0 0 0 1399.29 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 230.8 0 0 0 0 6744.2 11727.84 7418.69 18229.1 10883.92 22888.49 9081.71 0 98992.27 60564.88 21276.35 20087.15 12813.56 14707.59 47454 4387.75 14893.66 9264.3 6394.54 11512.52 10383.58 10865.57 3017.7 0 658.79 985.21 0 0 0 Tryptophanamide 5085.93 9268.23 9297.41 300.87 5875.84 1844.28 7517.74 7746.64 835.33 9597.85 11360.62 7002.59 3567.82 4642.2 5452.1 0 5184.72 11257.06 9093.82 9592.62 6544.73 9781.58 4856.15 10178.06 8159.71 23499.04 17618.48 9353.33 18988.58 7597.54 15027.66 9706.36 16361.09 17677.38 15275.11 15202.69 15040.47 21535.15 13112.36 20115.87 14141.74 18537.74 16029.76 20716.38 19230.29 8110.21 18859.84 20122.34 20153.39 21943.54 21146.25 18455.6 0 0 0 733.98 0 0 0 0 561.06 0 0 0 0 0 0 463.1 626.17 569.49 0 0 0 1489.4 0 0 0 0 1515.95 0 264.3 L-Acetylcarnitine 237432832 261563568 176301680 229158144 189599600 188631056 174404336 169127552 178923024 141115072 241694416 209787824 149596912 180614704 111099800 243582896 201242752 183707248 202842448 183675728 199750448 220262736 184242064 171130944 258634480 211038336 384278784 323627264 208399744 209417216 441728864 234154320 141126064 277073280 174907824 350486208 344261472 382178400 201070144 180116528 147120496 245309184 156153520 210580592 279119360 142194480 184970192 134203176 219765712 272257312 372124576 246648576 13389428 15005275 4076521.25 15563045 10426115 13319976 7684284.5 23361.44 14289019 14496959 13290357 18754106 6067012 15362300 42796916 20720084 16165148 7913170.5 21329070 10195601 12818611 14184391 1389935.5 819294.25 1851718.62 1606990.62 3305.52 44471.28 134378.06 L-Tryptophan 794355.44 893665 378758.75 714254.44 437155.5 392940.12 650997.75 341197.59 527134.56 93804.4 893457.44 613938.06 762987 710791 243377.5 1214828.88 676572.44 974070.94 563495.06 985609 700351.31 617137.88 1048400.81 581961.31 1305956.12 503117.53 696038.25 871399.94 572673.81 802079.19 974717.5 447512.5 309944.66 628037.62 556411.69 777055.25 773497.25 634554.56 713363.5 185580.23 140941.33 420279.53 326461.88 772847.25 532774 154465.17 119071.46 34555.57 725628.69 503469.34 789730.19 352987.97 23380.32 16494.99 1773.07 14616.85 4752.49 6113.34 4262.62 877.65 23321.34 3865.43 2033.07 6180.9 4836.27 24709.58 23521.21 15894.62 21617.79 21641.57 23271.8 33016.38 24645.29 20922.2 689.53 953.62 5703.32 706.07 1053.09 349.92 662.96 Phenylpropionylglycine 3091.29 2306.73 2990.65 2508.37 4058.69 2799.52 996.05 3557.36 1699.36 806.76 3228.05 2844.03 2177.25 3932.62 4000.59 6643.44 6316.49 12748.35 4264.43 8497.98 8021.92 9859.99 8921.7 7787.39 4884.86 7592.75 9071.41 2333.57 4893.38 7269.46 10701.99 11036.78 21818.93 16148.61 11003.04 3787.48 3309.91 11901.37 3878.18 11122.2 6859.37 4281.73 2582.77 22698.98 14844.38 10084.66 2949.81 2027.52 17214.81 26509.28 4251.84 17054.46 46019.09 54589.04 26852.87 48080.89 36165.51 39761.03 45498.75 40527.36 81301.62 37245.33 32670.2 64032.85 38330.33 52665.34 61902.84 60158.03 61730.23 54064.96 45807.45 73204.34 43340.92 53679.34 8823 7302.14 9688.68 10024.2 2666.11 1634.44 1678.7 N-Acetyl-L-phenylalanine 11706.23 19528.97 11429.76 12220.49 2118.52 11390.66 19495.18 1860.77 6749.45 1805.15 15767.64 15698.74 8963.89 7939.66 4301.32 17113.92 12148.65 13297.83 12897.73 14838.61 10377.68 13392.15 18081.16 9102.22 27402.26 12229.6 10009.81 10995.18 13327.74 7911.82 9296.44 2210.64 3303.01 6483.41 5102.67 10716.19 3033.52 6171.47 4239.59 813.22 853.46 4501.86 1603.95 5700.22 3994.72 845.5 1526.67 1360.62 5858.38 2012.04 8447.23 2731.41 1124.86 2669.83 2126.74 3615.51 3456.49 3160.89 2186.61 588.91 1566.69 1788.24 1911.24 3872.62 4008.13 3235.71 2368.04 2535.9 2887.08 3034.59 1667.86 1953.49 1985.1 1750.67 949.12 1820.48 2248.54 858.16 1488.93 1093.94 1499.73 Phosphocreatine 108457560 109482400 233688368 114539320 111318568 179030032 209523568 136347408 239305968 78811968 119103624 107501064 218951344 289398752 171080576 273306112 223458160 201187392 164942640 189568192 216536320 179712880 159533904 184083072 202906352 145351504 65521940 87051944 85570560 72051312 64374244 134884656 104680632 82140656 72025632 44914956 64893748 68432560 98166440 62869228 105108840 98354720 108441208 112677408 105365536 80325896 55211068 79679000 59641136 85668984 68799208 93585736 30287.01 24785.95 17386.76 15000.16 25469.08 17457.4 11322.67 6482.86 11080.77 13721.12 10434.63 13446.58 9784.41 10529.99 10965.41 14720.52 15594.23 10636.45 5532.93 9802.91 9477.81 8244.39 3954.6 3362.88 4264.38 2791.78 0 59961.68 161737.64 Deoxyribose 5-phosphate 5447.93 13869.99 7818.61 13034.51 5854.78 4761.77 8539.41 2319.65 3936.61 585.65 8075.02 8471.15 5874.78 1608.67 1949.94 9858.62 10728.63 6783.49 8433.77 9652.4 7981.8 8776.94 9296.29 3845.07 10825.91 5962.47 0 1817.65 1494.32 0 0 0 1501.99 0 0 0 0 0 0 0 0 0 0 0 0 0 528.21 0 1559.46 0 1850.16 0 206.51 492.39 218.08 184.59 0 0 0 0 0 0 0 0 325.36 275.44 209.39 265.84 246.66 0 0 0 204.32 0 232.63 267.65 245.06 174.06 346.1 316.3 207.17 Propenoyl carnitine C3:1 15634.22 12229.9 9362.78 8720.63 10700.2 8615 11180.38 8777.77 10427.15 10853.64 10647.76 9103.17 11198.93 6841.53 4132.81 10009.02 10937.32 11930.45 7008.01 9432.47 9194.51 8287.75 12658.32 11107.92 12590.05 5271.94 6948.01 16944.1 10585.33 7359.17 10081.01 8287.32 3919 10505.44 5890.88 11810.16 9322.33 4022.06 8070.53 9543.22 8240 4387.13 6150.22 11072.26 7268.24 7309.94 9161.08 4426.75 10105.64 7688.38 13583.93 9822.54 7853.82 5794.97 3572.69 4489.95 5669.63 3169.9 5448.22 1013.42 1720.59 7678.47 3395.58 7477.51 4354.28 6670.04 11661.94 8215.21 5683.69 9746.65 9846.27 3664.38 5733.99 6081.7 1578.36 1804.44 899.52 1421.61 1140.63 801.15 957.7 N-a-Acetyl-L-arginine 17591.04 21024.69 13478.24 16766.87 16708.01 18726.24 29226.43 19940.39 28363.08 11838.56 34114.98 20786.63 32083.77 40003.95 32608.52 38550.65 45657.18 49940.82 46069.98 35012.52 37079.82 42691.19 44187.08 65994.01 57711.45 77676.68 61290.89 58281.14 37918.46 47487.92 74522.62 51199.37 70156.41 67761.1 71797.51 54294.16 60119.53 76175.35 75085.81 119292.41 65955.23 112729.62 145362.75 86124.05 126113.57 130391.65 148245.62 97281.46 97212.73 150180.45 108458.79 118308.41 7950.92 16077.25 4561.12 8902.4 8041.17 8496.45 8060.78 2962.91 9415.59 11543.35 6033.79 8577.1 15485.85 8403.49 17338.81 20083.65 15894.79 24887.47 18279.98 24640.16 19298.61 39643.31 3659.02 4018.46 4148.09 4068.16 649.95 1476.68 2111.42 Propionyl carnitine C3 3773419.75 3633892.25 1485489.62 2511689 2192487 1943306.12 2807453.75 1748897 2134890.5 2052670 3974141 3456980 2352628 1942076.12 1319858.25 3551280.25 2168400 2318145 2439086 3004393.25 2380254.25 2638118.75 3032684 2432785.25 4128803.75 2984628 5892272 10269805 7419910.5 8706877 6153696 3364747.25 3061459.25 6887910 4479102 6724398.5 7330872 6912656.5 3934111.75 3041985 2947058 4991698.5 3318262 4961301.5 3807974.75 2651432.75 3487272 1553619.5 7370366.5 4786102 6616394.5 4868114 181842.56 217834.67 40033.5 234008.62 149202.23 133919.17 159540.84 339.9 224833.19 260942.8 89226.74 432088.62 297180.59 192190.05 517415.03 337668.69 309338.84 308747.38 573840.94 338300.34 345266.53 571252.81 12182.56 6624.46 20817.74 15005.53 546.72 671.56 1451.13 Pantothenic acid 582147.31 593893.81 851983.19 708132 393510.66 1121615.88 871825.31 788604.31 579286.44 368851.34 509052.5 481566.09 765461.06 1054372.5 400543.34 1169148.88 832737.5 686802.94 827060.94 1143967.88 956421.94 1051612.62 605287.19 517226.41 951680.69 798657.06 1846848.62 1185892.5 1893888 1412042 762982.19 2468739.25 1599805.38 1621100.62 1044091.75 1057597.5 1307443.5 1546882.62 2124989 2030972.5 1922245.38 943604.69 1115867.88 1635850.62 1948183 1570170.62 1141798.5 1839403.38 1052137.38 1439220.38 732478.75 1477852 3820.1 7936.81 3194.29 9351.86 3057.01 5326.63 5455.15 1387.71 8763.82 5917.78 3389.15 8767.71 9183.01 10328.2 14824.71 4011.41 7542.14 8954.19 9424.54 13992.64 7361.57 11462.83 899.23 1096.01 863.88 1191.77 443.62 920.49 950.53 L-Cystathionine 4594.21 2645.01 3059.3 2994.37 4023.16 3777.72 2486.89 4888.9 612.02 2443.96 8383.14 4203.88 7381.91 4720.51 6148.3 7207.57 5463.86 7023.67 3857.4 8502.42 6613.6 6355.69 5231.53 1258.14 9082.47 5473.47 8804.16 7246.23 3005.28 4976.23 3981.12 2178.64 4597.34 5682.19 8840.25 6236.79 3773.94 4338.27 4654.19 3277.3 7402.32 11345.34 6319.91 11166.26 5067.21 6058 2815.02 3108.91 5582.47 10027.08 9428.23 5950.42 0 190.93 0 174.89 0 0 0 0 0 0 0 177.95 0 0 193.77 204.29 161.09 164.13 0 0 0 218.51 0 0 0 0 0 0 0 Gluconolactone 1054.65 3902.82 2098.96 3403.31 3585.39 3677.23 2383.32 13629.32 21455.71 24629.4 26738.13 21178.7 17578.16 20645.71 14969.87 18565.14 15403.16 19220.78 20930.56 17226.45 23244.05 15082.35 19384.54 21811.34 25703.91 25020.85 29948.26 26802.05 24617.21 19028.82 22477.58 15009.39 19003.18 18642.18 12874.89 23869.22 20520.72 25930.41 14322.77 12246.82 14562.95 14216.3 12532.69 16054 13723.29 12104.85 12084.56 9767.36 9169.14 14642.93 12392.17 13757.2 11079.85 9646.67 3666.54 9489.78 8127.84 10445.7 8548.63 0 8855.63 4979.62 3002.51 4763.31 2787.29 2289.7 3785.78 2707.6 1688.68 2823.29 2064.26 2762.69 2549.13 1845.98 0 0 194 246.88 0 0 0 Carnosine 131545064 135989184 99006752 136346416 98421560 102941352 112054936 102375416 79383656 59756640 98860960 111788024 146230000 168570944 82063568 200881024 118280376 111499176 119047336 128868440 122188696 128690200 90401400 107043200 125359840 99049944 7316234 6686896 5966912 7825750.5 7372298.5 4562980.5 4499565.5 8876097 3489892.75 9562431 7284130.5 9230929 5597587.5 8385847.5 3621538 5871864 4850776.5 6601362.5 6039199.5 3727862.75 3321692.25 3241457 5011360.5 7672942.5 7892039.5 5521254 13646.8 12187.31 7285.27 10656.75 8680.42 7373.43 7791.22 3139.07 9816.7 7299.98 5254.87 5974.11 5214.82 6674.88 11387.39 10242.96 7971.61 5723.39 9296.62 7524.29 7131.74 8853 1934.3 1060.96 1784.79 1829.95 183.7 5155.05 4934.96 Deoxycytidine 79408.41 70686.81 59419.68 87214.51 62708.41 53227.75 60382.01 67561.95 64020.23 59286.55 93750.69 51041.94 42541.37 58065.23 24153.97 90765.94 62102.22 45038.41 66719.98 55672.46 53335.54 71052.3 57175.5 58231 67152.76 48802.88 50585.93 67705.02 47351.98 61144.95 48853.14 44719.43 43062.02 61443.49 41718.94 57594.46 57820.38 45905.5 44476.53 43407.69 37705.82 62316.38 67917.74 34776.65 52176.9 36177.77 39660.45 46842.8 58222.84 39207.88 67248.75 39497.65 10133.68 7919.21 3721.64 10739.9 9920.5 8003.87 7109.09 245.07 12995.68 8486.28 6680.72 9312.05 8614.54 9588 13801.79 13355.05 14310.97 8956.4 17426.99 11618.63 11809.37 14494.93 1226.43 1198.01 1547.08 1863.33 270.44 247.11 561.42 Deoxyuridine 39077.46 20508.37 10909.21 20037.94 40390.53 11351.13 17543.76 24743.52 16983.65 27789.49 30965.76 14199.61 12869.71 15996.68 5988.25 39298.43 17570.56 13267.54 15341.2 10538.34 11544.13 19902.51 14658.46 21872.65 14429.48 13424.44 22790.24 12679.96 7165.97 14939.66 43664.19 9262.54 11650.01 17266.33 13799.84 41292.25 15225.67 11213.59 10749.86 14490.68 12803.06 19796.91 13265.4 12004.27 14101.76 8971.37 10230.09 14643.48 16856.38 11277.13 11491.71 12469.17 5549.58 6902.97 1178.41 7055.26 10131.92 3239.89 3953.5 287.12 8635 6263.99 4421.65 7746.4 4898.26 7768.43 23238.13 13810.33 8461.51 8031.37 14149.77 6169.93 7102.46 17217.93 299.02 406.86 256.95 522.28 216.55 0 0 D-Ribose 5-phosphate 72052.41 51808.77 72666.51 45368.83 41981.41 60348.02 37220.16 35693.16 38066.44 47106.65 68252.64 51606.2 39276.57 39426.8 71471.23 41553.68 34205 35307.16 49374.02 48343.56 25008.1 39922.43 74933.62 49161.89 87502.93 56188.59 127580 129930.74 84223.59 94451 80989.27 36539.82 56081.73 79920.12 48046.01 73754.67 84983.78 138452.44 53116.11 34478.34 40242.53 43441.85 36875.74 51022.76 34553.52 54584.76 46863.57 62412.98 61893.38 42947.24 91822.63 44630.67 712.46 0 0 0 212.97 251.08 0 0 0 523.2 0 568.4 240.19 0 0 215.64 0 192.97 0 210.92 174.37 284.64 0 0 0 0 166.38 180.39 484.04 Butyryl carnitine C4 13210499 11966629 4995850.5 6816728 11732064 7702144.5 1989999.12 11133096 9045171 11418939 11646265 9914334 1749971.38 4073142 1751957.88 9566876 7174048.5 3956491 6714998.5 3609230 7343142 4968034.5 8919708 10853677 9921723 5235802.5 23911078 4243156 1256360.12 1137270.38 25178550 2101894.75 491467.47 4103232.75 1468322.88 29891578 6511056 17835060 897134.25 1506249.38 1083562.5 1213694.62 1094655 4093335.25 6269469.5 821087.69 1724873.12 662204.06 2042994.5 12508948 13842184 1838827 246458.42 357455.47 62333.43 188646.56 189770.27 240730.11 123017.38 649.44 287772.47 281194.47 169705.19 360582.75 309430.22 230831.56 566806.44 351332.41 360926 350006.88 648906.69 725579.56 425594.12 459791 19111.64 10541.92 32481.47 17922.21 240.66 341.18 1090.9 L-Cystine 16288.36 88075.35 85136.68 82606.09 33557.52 38527.6 83129.59 50441.52 27382.87 26128.26 48510.46 29917.48 45400.98 60595.02 30853.51 34439.67 80852.55 13644.17 32837.49 24921.09 34001.89 36192.33 50020.73 54646.39 21438.96 40394.44 6977.82 3404.67 1456.62 8211.35 2620.12 1899.05 2196.04 7068.96 2157.01 2246.78 8273.56 3793.11 3619.04 1852.47 4729.16 5504.74 2660.82 2400.43 3577.36 1510.04 938.71 1781.23 4736.67 4025.15 2064.57 3722.98 13450.76 14577.13 6575.75 10330.15 34776.75 5720.62 13527.89 485.59 3296.07 21711.15 9775.38 3963.9 3111.9 15350.47 4313.48 26783.86 19357.55 9983.82 6756.85 18400.45 13889.16 3398.93 2263.2 323.14 1476.18 617.15 0 0 0 Anserine 327097280 303264768 273314720 324069472 219195776 246435568 237720528 235773616 163452784 125228904 205435824 205638912 277036032 307666368 168334528 359490720 218840208 234086128 226087088 239294128 231146256 244898352 195521344 211446784 260806352 202998480 29635530 21383834 22385946 31992472 27349424 23637074 19337474 42119900 12185452 31477962 29520938 30941334 24987158 20577778 16916524 19678790 16651809 30337616 21616734 14841383 11004091 16374100 19126954 24946706 23239046 20311722 38786.79 32718.22 19749.1 32487.26 25041.77 19081.47 19508.06 7343.46 22938.09 16029.69 11302.54 16265.54 13549.06 19957.59 32545.95 25770.81 19410.15 14173.4 20212.32 18448.67 16652.96 19970.73 3776.7 4288.1 3782.4 3488.87 233.56 15467.34 21277.98 Pirbuterol 3528528.25 2196085.75 2026959.38 823921.69 54014.62 1659997.62 2100904.75 1353715.25 1466732.62 694789.25 4597662.5 27079.57 453753.34 1833744 41427.15 32033.3 258634.06 459278.62 1709.55 359090.91 1271.24 1161.2 1770016.62 96939.7 35068.17 1581.29 552329.12 527273.81 1899902 3261072.75 1007893 81832.62 242312.33 41397.39 1995.95 1766739.38 3502195.25 1515087.88 165607.2 8555.02 3240.46 2374.05 16459.87 230571.55 2564.28 120645.9 1379.6 1426.07 312380.66 119728.44 2450847.25 1120.61 3791.72 3451.61 2228.84 3298.07 4765.73 6238.93 1829.43 2077.84 3342.73 3613.54 3330.66 5038.03 4145.11 1419.99 2156.84 1660.59 2682.9 1309.5 4984.2 4291.52 1046.67 3364.48 1938.69 2073.18 2157.44 1461.21 1642.72 1060.47 1484.32 Lumichrome 51322.53 56986.65 42054.12 47328.89 45082.76 64445.86 301727.88 135925.83 84167.85 22212.2 59584.52 46284.95 47308.22 55175.53 208735.12 286492.53 93363.94 61360.27 45216.22 52683.29 55382.54 69259.87 464209.84 225774.89 125119.05 49658.39 62765.29 65634.73 76708.51 74607.93 992084.81 419057 177195.02 121724.54 76961.66 78057.4 57904.84 101790.28 885723.25 373279.34 79940.59 87180.37 166771.05 86956.62 131456.3 137083.73 608072.38 444508.28 982002.5 951521.69 1408845.62 1435747.5 34458.38 43999.22 20532.33 40693.81 23310.03 33391.95 25570.94 39756.86 46073.87 25977.38 22244.06 50336.36 24272.62 39769.18 57298.01 51226.02 50651.86 51204.02 54707.22 55994.24 35203.21 53933.94 4536.91 4459.92 7184.93 5100.92 2090.51 777.08 1113.67 Thymidine 84320.62 80308.9 49318.16 78899.62 128979.57 55060.7 63591.52 101131.29 87209.73 91778.93 85808.32 64162.04 58410.55 89422.41 26234.54 157560.52 71780.71 63961.72 97606.29 49051.71 58186.4 163502.08 87975.56 68721.07 65126.94 69885.35 74046.37 64571.93 42509 65236.78 107942.3 45691.08 54940.75 87499.4 64301.42 93675.99 81357.99 75496.9 55999.34 71963.09 59359.98 90686.66 63055.06 52383.99 74554.56 44805.97 50909.62 92733.5 66582.2 54025.8 59511.3 56891.18 31613.22 26452.96 8707.33 27908.38 46627.98 16313 19427.54 1719.35 48235.11 32022.08 29637.77 36584.02 31200.52 38306.34 45889.79 58988.01 37255.92 33512.6 69261.61 27864.28 25844.23 59981.28 5273.79 5420.06 3584.18 6310.67 936.93 655.77 761.62 Cytidine 192504.36 128602.12 82148.74 149943.14 129084.15 61394.05 113914.84 119017.44 98790.71 105789.47 251581.45 131174.83 42020.71 145663.56 58941.07 204403.56 131038.29 63251.55 55429.98 47556.86 74216.73 61506.8 282907.88 142908.23 310571.47 91514.19 354862.38 312090.38 231299.2 245841.45 427531.84 62681.86 67661.59 263226 105879.97 354170.22 262339.59 283064.66 58661.18 70582.31 68989.84 84099.75 78798.54 93658.54 77867.72 28882.05 71531.26 32063.51 192105.69 136428.42 285645.97 126817.29 20323.24 18683.65 5524.78 24220.01 16768.96 13559.26 12254.57 0 27275.47 18861.24 10915.21 20651 9302.97 17940.08 42526.53 28168.73 37174.82 18526.08 43349.94 21577.73 25876.32 32864.93 2116.99 1562.87 2485.61 1944.36 0 1227.05 1248.74 Carnitine C5:1 107902.73 194557.94 86918.91 156660.22 140388.06 100425.48 77024.12 66765.04 103348.35 81043.59 113703.09 193235.25 321859.34 87898.52 88918.79 177107.75 154302.61 201580.83 198091.88 412989.41 138625.5 185956.8 192425.83 93773.25 278430.47 90048.55 120238.56 227593.75 94622.49 127468.01 355304.78 81867.85 59106.72 56586.73 53460.81 308127.81 137795.75 238320.3 326846.38 49612.7 135108.42 91840.6 132669.69 410706.97 251932.61 210250.95 73286.94 100908.66 76025.56 163580.3 227925.86 112776.84 1277.74 448.43 389.39 446.06 318.82 435.64 575.35 347.2 592.27 1314.33 505.71 653.19 631.91 320.44 1174.32 802.43 1063.58 966.37 1372.72 1408.21 1254.09 760.41 420.65 525.02 312.88 707.34 360.07 1189.71 491.14 Fucose-1-phosphate 310789.12 319951.72 176409.55 343471.03 287858.34 201006.45 221210.12 230309.55 213680.12 155513.08 336194.09 218638.3 132904.36 194887.39 82856.91 349687.5 179216.64 275151.78 203370.55 253007.25 291112.75 246710.33 211848.08 323644.62 310337.66 315639.09 777255.31 753459.19 805269.81 552447.94 1131527 778183.5 448990.41 878070.5 552857.06 830000 763829.69 762583 210718.77 365053.22 306848.94 474735.41 310283.38 578076.06 447133.09 184156 278975.03 169135.3 393743.66 668953.06 518715.16 773932.25 5395.45 7588.74 2217.46 4969.38 3754.86 3783.82 2765.27 0 6276.88 4385.59 3250.14 3957.81 5523.72 7653.27 9199.38 8163.13 5636.74 6508.27 10663.37 7323.64 5545.33 7199.25 528.5 729.81 596.39 978.77 0 862.94 701.14 Uridine 11936.31 14346.96 9779.15 14460.02 12850.26 8522.71 6417.68 5457.84 6697.18 9101.96 18186.06 12073.32 2122.87 4605.08 2112.06 11283.99 6744.48 2974.17 4665.57 3464.7 4554.91 5070.19 15736.33 4494.2 26999.31 3851.77 23566.27 40320.48 24308.62 34170.19 28815.34 10792.03 9542.45 18118.45 14552.73 23989.41 19615.27 29416.68 6869.65 8547.14 6858.67 10953.2 9162.06 9060.93 8977.09 4288.96 6841.71 4730.21 19602.26 11673.92 24548.44 10504.55 3313.12 2461.66 479.62 3014.14 2967.25 2121.68 2011.35 424.12 2023.99 3222.32 1591.11 4295.34 1609.22 3096.98 5109.17 5668.17 3997.52 2751.16 5029.37 2987.88 3141.42 5922.34 397.52 439.8 642.57 474.36 216.68 0 346.13 Biotin 14773.31 9504.55 6624.62 11356.5 8846.02 4666.64 8454.7 10093.88 6542.97 7952.64 18718.69 9574.02 3204.02 12159.17 4956.68 17091.59 11487 4438.62 4560.4 3960.31 6009.77 5045.51 22804.4 11293.27 25424.01 6380.58 29287.76 26350.89 16353.07 19300.54 33906.62 4526.22 4993.77 21385.3 7139.91 30023.44 21505.23 20825.84 5218.01 5717.23 6390.47 7719.46 6006.91 8461.84 5711.47 2381.3 6035.93 2218.51 15410.19 10934.53 22234.48 9959.11 1514.75 1380.08 224.6 2021.53 997.53 1070.27 1020.33 225.9 1898.35 1452.63 833.68 1423.08 191.62 1470.84 3422.99 2320.63 2534.06 1442.41 3735.6 1527.28 1627.23 2310.06 184.2 0 207.26 245.48 281.42 0 258.44 Isovaleryl carnitine C5 750850 632372.56 178740.06 753367.69 1007771.44 236120.92 163641 382854.47 377222.34 615925.56 635493.06 535648.69 1189654 228176.31 402190.91 628022 658821.31 412153.41 593070 1345782.25 356829.75 690690.75 603913.25 445434.84 645370.06 379845.59 552658.31 427915.28 191873 327073.84 2252700.75 226936.88 76948.29 203097.06 151958.91 1805706.12 306776.19 770979.25 668410.06 189600.39 300882.47 247590.67 241485.25 1161909.5 451673.16 483537.41 120863.19 264634.34 383059.75 493037.66 631203.31 348432.88 15502.94 18370.33 4542.87 20823.96 16406.62 14978.69 7535.47 2047.47 22808.76 22555.37 9580.36 21740.2 33279.91 13183.66 50848.52 20305.29 20977.89 39741.75 32402.17 39734.13 19061.73 34946.56 2752.84 2638.36 2366.74 1779.05 1338.06 1714.76 1262.66 N-acetyltryptophan 1089.23 1371.88 2419.92 2512.46 3451.77 1668.3 4600.11 1788.22 487.11 2290.41 3405.38 560.72 682.64 1904.28 0 1951.9 1301.97 3687.49 697.1 1634.42 1243.9 1217.45 3232.68 586.37 3009.9 927.99 2317.18 3604.83 1977.31 4793.88 1928.67 951.98 3426.01 1265.67 609.93 3471.37 1609.64 1785.34 2355.56 2477.34 431.26 836.18 608.52 1433.2 1201.56 3004.77 3141.77 1747.26 5004.19 505.25 2398.7 879.21 6935.19 14472.18 4637.69 15309.28 9664.88 11195.73 7359.86 0 16957.08 14418.61 13322.54 7745.26 16254.47 12242.12 11618.61 7258.36 11298.57 16577.2 6362.3 12039.97 14788.26 22570.48 605.27 0 312.33 0 190.79 476.98 0 Pyridoxal 5'-phosphate 1773 1722.49 893.96 4271.54 1461.56 2074.09 2709.47 1235.95 1247.83 1425.47 4930.44 1860.73 2946.81 830.64 749.79 3738.13 3808.01 3856.2 2985.09 5759.3 5903.9 4908.03 4099.78 5485.39 4293.81 2083.87 3199 4783.51 4646.4 4667.06 3446.05 6286.11 4676.21 5767.53 4336.64 5029.26 5623.3 3632 5162.69 3259.04 2871.27 3590.57 4236.97 4778.16 4024.85 3165.62 2506.04 3165.52 5510.43 4356.01 7129.65 6375.67 182.1 623.12 0 273.88 0 210.44 0 0 575 0 0 162.56 0 464.5 505.41 414.61 264.66 673.32 697.76 1480.67 764.12 250.9 0 0 0 0 0 0 0 Pyridoxamine 5'-phosphate 15815.32 19883.15 22193.09 22061.45 21853.66 37459.76 53739.83 29092.93 52899.88 6988.52 57749.78 35463.73 59895.4 45900.51 12036.1 104942.34 50765.37 81894.55 61794.66 79029.85 80128.62 63265.49 60612.89 45324.73 70339.76 52498.4 88693.54 122013.91 130484.84 117865.84 133592.11 111486.28 100004.6 127897.16 105235.4 111008.25 98286.48 122148.84 109556.84 70711.88 64478.05 98426.62 85633.23 99972.25 109084.46 72146.52 65847.55 46226.58 85276.79 101815.32 128438.27 106746.31 157.55 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1743 1075.44 Nicotinamide riboside 15479.9 13554.93 12405 9931.53 10773.48 7853.07 8074.06 7316.96 8835.52 7295.78 8386.54 8073.54 6824.42 7427.94 4127.76 10642 8886.41 6794.15 6705.05 7449.12 6165.05 6815.09 8968.13 7053.22 10100.76 6524.74 9640.15 10674.41 7379.45 9461.46 12963.95 7597.29 5942.49 6679.64 6006.16 9287.16 6952.64 7901.83 5059.76 4342.44 5015.69 5696.7 5905.08 6466.59 5688.17 4791.02 5294.15 3805.21 5272.4 7247.09 5835.73 7315.82 438.42 613.23 190.46 445.58 510.44 508.72 247.96 0 499.46 258.35 221.17 923.09 261.7 245.34 772.08 890.33 355.28 930.4 332.62 433.36 546.08 471.04 0 189.3 0 0 0 0 0 C16:1(Palmitoleic acid) 42033.7 46554.96 39937.15 50596.85 40361.96 39488.7 43381.79 32359.99 42829.42 17450.19 63020.86 52304.77 50157.9 47992.23 64823.72 47867.29 50849.38 50329.3 40764.96 51151.79 54607.31 48882.32 70894.07 44268.86 65067.28 46173.61 52992.43 49810.62 59747.44 45451.35 63747.2 39642.05 37491.57 46018.97 40026.31 42429.42 41849.96 49703.77 46194.34 31337.57 43259 38686.41 33054.41 46735.62 49713.21 30126.01 32340.91 29788.97 72217.1 46948.49 63143.79 57581.94 48990.26 25891.66 30148.94 66423.41 53647.36 38790.21 46174.39 37923.88 55673.44 43239.77 31211.47 46108.77 41982.18 50326.61 51572.76 67877.67 70650.78 60877.39 60752.26 51922.44 65700.7 55927.25 13633.27 11247.93 15016.52 18835.69 40679.36 36716.91 35777.21 Glycerophosphocholine 6716088.5 7647129.5 7770142 6738340.5 5381970.5 8263672 9363493 6612262.5 8053458 4340707.5 7193923.5 7658269.5 7907430.5 8807985 5370416.5 13875177 9875074 8143773.5 8364502 10070517 10531245 8875461 11564052 8642143 12515709 8955284 8644261 14327447 11651020 11746453 8868468 9801501 6175402.5 9224063 8276297.5 9861081 7352019.5 12527841 11998641 8369813.5 8919318 9215804 9265280 11674563 12817853 5609812 5186288 5089562 10481765 10883463 14499437 11672747 104365.66 152657.86 21092.66 107868.52 149060.62 50265.97 82029.59 3936.63 80682.43 91833.74 36971.14 154985.97 74122.07 105286.47 165132.09 311194.09 202311.06 221002.95 377437.88 159190.95 285236.12 230577.38 4482 10032.68 23122.58 23230.09 3559.96 4496.22 9025.74 Glucosamine 6-phosphate 480475.66 547892.44 619398 423209.84 387277.16 736471 864557.81 548462 596521.44 387333.72 701243.44 696392.19 824662.5 863417.06 543799.12 1287241.12 795738.69 876414.94 883822.75 1351154.62 916213.81 1111050.88 1202082.5 777389.69 1710759.5 795381.94 217696.86 423995.22 604845.81 342872.03 185785.94 506333.84 581397 503366.38 379324.34 252006.55 219116.58 280842.22 732837.81 323206.44 361391.09 527399.56 372016.78 715033.75 530574.19 569320.75 451786.5 425092.5 516670.62 389634.88 563827.25 314524.88 10325.21 8509.47 7127.12 5791.88 5164.9 4848.64 4048.68 2868.26 3301.73 2783.85 2327 2152.09 2008.38 1907.54 2443.58 1865.79 1713.61 2002.98 2016.2 1399.62 1411.53 1258.59 1173.27 1233.58 1057.03 1444.56 525.78 7708.86 11430.53 Hexanoyl carnitine C6 12851220 3783274.75 1229286 3704324.75 5819138.5 1994268.5 726757.19 7315368.5 2657955.25 5294364.5 7639186.5 7102485.5 148940.2 1767827.62 480153.62 5257344.5 3067991 1092434.12 3288563 529446.62 4534946.5 1366641.75 4431125.5 7053738.5 3834572 2634874.25 9923785 947750.19 315583.22 462811.75 7245766.5 391726.47 144155.19 1260549.12 349621.5 12012459 1499157.12 4881698.5 67822.38 441461.5 210980.56 234132.23 260364.38 507482.47 1238562.62 66063.3 451154.72 94755.9 532947.44 3004735 3429008.25 455712.59 76481.09 49296.94 12688.16 32792.48 65726.8 43662.39 15541.21 1489.94 76238.78 111378.43 47062.29 64088.06 8977.9 51734.62 169372.91 74550.88 42555.36 15865.12 143056.73 14968.5 41695.83 26600.61 4878.24 3907.12 7505.87 5471.15 876.57 982.18 1821.02 Hexose phosphate 27025862 24485334 34051472 20005328 19171502 32624306 30768666 19441750 21109840 13513937 23884870 22440688 26232942 27896392 20746462 30742160 22071120 24767114 24415048 35776156 25484466 27870950 33379142 21199018 35157116 22272890 5141994 10803833 16170043 8903835 4435498.5 13053859 14783992 11281664 10407711 5929410 6000401.5 7527279.5 17094002 7313046 8203002.5 11360937 7870488.5 17061334 11385241 12329191 9269079 9257522 11165591 8247316 11283903 6968782.5 29509.45 23241.36 16228.38 15335.65 13412.83 11527.69 10787.25 6811.36 9602.5 9915.54 6023.75 9909.61 6813.97 6740.37 9705.62 7410.38 7415.42 7323 9706.59 6156.52 5884.52 6937.64 3307.54 2414.24 2959.75 2536.17 179.77 44042.72 68058.87 Mannitol 1-phosphate 53260.09 43122.71 36524.09 34593.61 35668.5 19105.27 43926.17 28658.19 27044.12 25696.27 35929.98 53103.94 36297.7 35867.9 23108.7 50727.01 35670.25 36797.6 33004.89 52177.75 34290.81 34966.63 38154.58 27817.96 56420.68 28248.72 33273.94 76064.25 67756.62 41259.74 38982.68 46205.69 54557.43 37994.69 52648.89 55949.49 26299.93 73442.7 84691.27 23167.88 28287.3 47312.84 42252.98 58563.52 93767.55 49318.07 36865.27 22889.66 34134.52 40714.88 76565.06 46525.06 301.4 611.33 288.6 541.98 571.01 538.31 579.34 399.38 301.75 507.87 525.71 423.31 389.44 593.65 403.83 400.63 371.14 333.35 349.5 367.16 295.42 491.57 373.3 469.66 831.82 533.63 2514.04 291.34 651.45 Thiamine 2699.57 5614.82 3682.88 4269.32 2118.55 3800.32 2921.68 2274.73 2771.31 1327.21 4459.51 4376.07 4842.19 5627.83 2288.83 7690.57 3447.54 3188.03 2898.6 3101.59 3237.49 3755.91 3328.12 3220.6 5947.54 3140.61 3138.37 5528.77 3580.5 4663.17 3487.71 2796.65 2355.7 3671.96 2748.09 3955.66 3758.75 4233.41 4092.08 2203.5 2371.83 2589.06 1966.01 2626.57 2783.52 1647.18 1272.26 1608.67 2002.84 2686.68 3696.89 3582.91 840.89 1624.75 239.8 1658.09 1194.73 999.98 1767.97 256.91 3618.75 809.12 590.67 1781.81 1372.48 2147.31 4612.38 2645.59 2386.78 1931.19 3614.87 2566.17 2582.97 3730.82 180.54 261.99 264.11 245.06 273.88 0 0 FA_C17:2 164807.42 155752.44 170467.69 166263.86 132275.73 126975.9 131174.56 93144.24 125350.54 119970.16 155838.83 160457.12 153843.12 140938.77 121875.38 152265.7 149935.5 141448.34 134743.02 152829.89 152190.16 155706.64 161991.44 147661.88 177157.2 154525.31 180991.25 195251.81 186814.95 193096.88 195065.45 157647.33 146298.12 159890.56 232322.56 267439.72 163004.77 162859.14 176052.25 110594.45 121362.71 142722.2 128869.1 163804.67 167504.2 118639.9 109858.88 100302.73 175335.7 186417.81 232846.08 219365.33 45982.76 67084.85 36266.16 62406.14 47425.94 51575.89 43564.48 46048.42 60041.22 41453.78 29042.99 62858.33 35130.04 51642.34 58961.78 76129.93 76593.2 46441.67 52890.11 64822.38 47903.96 60650.44 9230.68 5959.82 9299.38 8849.86 131993.41 155013.45 117961.26 Adenosine 7759978.5 8416100 3055373.25 8012840.5 5207593.5 4665548.5 6267846.5 4367676 4932181.5 6039432 8764603 7614058.5 4012674 3689233.75 2641386.25 10284357 4984432 3535787.25 6401454.5 4728692.5 5324667.5 7018816 7029228 5035424.5 10248231 6347050 27764816 22891506 15589652 20464578 21530286 10041504 9809324 13714344 13382841 21949470 17084114 22725686 12148425 8725503 8532637 10421646 9288732 11288017 9687715 5950432.5 10528785 5661572.5 14736156 11081107 16371045 10950797 40589.54 53435.81 912241.31 63495.43 51667.54 83612.55 47715.2 33648.55 51286.39 73590.43 43887.29 57204.23 51118.43 44155.25 58357.07 66324.91 49827.22 53011.93 58283.11 56203.35 71490.66 65110.4 32294.81 38431.25 36270.2 34732.82 2970.72 11646.64 24426.8 Inosine 618334.75 506472.34 281134.22 574267.75 416062.22 247766.58 266807.41 191071.55 230134.83 567039.88 510757.34 492032.84 113373.66 153048.11 61178.03 314010.5 177919.8 103198.06 166723.73 152075.02 178630.45 188249.69 441377.53 205363.88 889766.25 250349.73 1561274.62 1482108.62 657265.25 1055478.62 922603.81 293367.22 373051.12 463868.28 479801.91 753345.5 706204.5 1019039.06 267450.03 287653.09 232843.2 426948.09 293243.91 280569.53 214295.5 229641.12 507293.5 201075.23 674139.56 354489.25 732067.06 266785.47 2156.77 12440.12 13516.38 22205.63 628.19 9641.24 0 0 0 22121.94 13271.92 2165.12 492.28 202638.48 328.36 10931.54 6243.98 540.01 590.96 1348.31 863.85 1262.39 0 1654.77 511.22 776.76 0 0 200.51 Glutarylcarnitine 3014.53 635.93 1535.07 7028.91 4640.48 7758.49 1852.95 2789.82 365.1 3354.53 12957.39 1712.29 1060.93 611.63 2945.94 1829.35 2262.13 2684.8 2356.36 1265.88 1210.29 1725.44 4411.44 4662.72 4897.42 1429.36 13533.48 12034.51 6572.32 7156.12 8383.4 3935.47 2510.14 6307.28 2099.39 11341.59 20092.14 3099.74 12537.57 16369.27 7573.69 11123.68 3690.73 6580.28 8661.12 7005.05 6797.9 12448.21 8181.66 9592.26 9238.31 1985.48 8953.29 10821.82 2232.74 7218.11 14287.67 5897.95 6328.17 539.17 13736.35 12998.04 6957.06 11550.05 8608.37 14036.91 16219.96 11233.73 12346.06 10730.42 16000.3 12353.68 10074.9 13622.33 1942.66 1922.17 2188.97 2143.11 360.75 401.08 597 6-Phosphogluconic acid 10295.1 15254.25 12715.81 12597.6 7213.3 14430.49 22376.03 11598.04 15063.95 0 17628.95 14827.74 12442.27 17744.22 5608.55 34916.2 21417.26 16915.14 13737.82 26354.14 26780.07 20270.03 22897.42 16692 37754.85 14623.86 18493.46 24308.63 26174.06 22376.26 30410.21 23955.19 18088.12 29585.77 18562.95 26091.35 19984.72 27158.08 21545.43 13680.27 13452.2 20611.86 18750.27 21282.75 22276.85 0 0 0 20292.12 23536.12 40869.57 19957.32 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Saccharopine 2342.81 6616.34 4216.92 4880.16 2335.33 4818.24 6282.15 4796.63 3552.83 2758.03 5916.98 5936.15 5867.07 2649.66 1552.62 10704.36 7176.89 6419.71 6005.45 7140.6 4814.72 7273.49 2684.27 7446.74 7770.22 5792.48 8160.34 8014.27 5987 9720.03 8926.54 10436.69 4627.74 10485.38 4166.52 5271.27 8665.67 7063.45 4939.68 5653.14 6371.9 6162.57 7606.08 8815.97 7780.07 2741.97 3132.4 3116.42 7405.07 6783.95 7519.93 6559.3 239.85 228.07 243.44 301.06 287 524.65 357.34 236.73 304.34 319.52 254.3 251.09 200.43 640.31 220.48 260.37 241.69 225.03 244.62 302.37 534.6 270.8 334.54 238.81 270.06 494.65 236.41 282.9 222.39 1-Methyladenosine 591.32 348.3 531.91 936.15 493.25 2016.24 385.84 0 404.82 0 505.5 529.84 324.56 362.43 436.98 339.76 442.06 323.31 387.86 2007.13 782.62 371.87 487.51 838.19 2214.78 1330.46 457.29 1859 2306.17 791.33 1514.89 373.33 1015.25 651 615.53 1228.46 511.8 599.37 459.65 961.85 565.87 591.21 1159.53 388.76 895.72 294.88 387.54 875.33 1331.85 659.49 1899.22 1679.96 296.45 307.45 0 0 0 0 300.6 0 289.55 0 304.54 259.58 289.96 318.93 0 296.02 346.04 0 0 223.97 0 0 317.75 227.94 0 269.27 236.96 0 0 Guanosine 101798.02 75018.65 54890.72 102711.38 78481.28 38671.57 53433.55 39829.14 59565.62 39995.22 125143.57 70062.07 28938.09 60972.39 22448.72 103189.62 48095.71 33085.91 47904.53 34799.88 42143.26 49821.3 91001.12 42937.67 133318.52 30967.71 212654.5 322204.22 154466.38 323822.47 245756.5 99352.35 97464 108433.77 153968.36 189769.83 122960.29 158390.88 80030.01 76068.4 87972.13 132128.2 109108 88545.27 95019.73 41942.77 85079.66 40682.67 170006.77 111964.24 217793.89 94212.59 204.38 550.19 3458.57 444.92 0 1093.31 0 183.06 0 2503.23 1016.19 0 0 448.63 0 0 201.63 196.48 179.31 0 0 2251.9 0 0 0 0 0 201.65 541.09 C18:0(Stearic acid) 22207.2 16588.66 15476.58 17271.78 19852.42 17557.39 15463.52 12059.1 12364.76 9135.56 15450.81 19911.44 20090.74 15238.74 19726.84 14924.97 17172.49 17052.76 14058.87 15769.31 18949.53 16165.95 13928.27 19519.58 19548.22 15164.49 12532.32 14550.88 21405.98 22682.97 20705.17 14410.95 13854.71 14368.4 16426.6 19742.28 15298.17 21875.24 15428.85 14346.94 12938.54 17278.7 11536.8 16561.08 15340.42 12485.84 11523.68 13670.4 11766.16 22207.38 19077.32 24870.01 8650.46 5229.81 2975.03 3822.68 3441.01 7607.25 3893.74 6838.31 9649.75 4762.38 8797.28 2325.37 2008.5 4247.99 6948.79 7701.42 15902.45 1524.94 866.68 8664.85 10724 564.14 468.07 717.68 1610.35 725.38 17373.56 19733.47 19352.73 Octenoyl carnitine C8:1 437113.97 141296.92 67988.88 224872.23 261212.77 114360.93 95397.56 328363.66 111986.4 111710.53 304584.34 236656.88 30181.48 142625.23 34005.14 294044.66 191936.73 77066.41 181550.02 42872.16 192109.8 88792.34 182857.38 256840.89 213429.95 184743.45 342845.78 262874.25 178739.31 206196.62 479179.12 130069.51 115915.62 115556.22 147368.33 396116.28 95169.9 404009.34 98755.73 101224.97 185667.2 191666.3 111337.4 262243.31 375819.34 85555.66 102528.37 45870.63 157057.92 275092.5 560418.31 201585.23 4589.84 5870.88 5363.07 2612.85 4907.23 6828.49 4095.63 1795.81 4274.65 3322.32 3003.49 5916.24 3519.9 2379.82 1520.6 3582.26 2193.9 9037 5378.25 1967.37 2911.93 4841.71 1863.5 2357.76 1718.02 2124.88 1250.91 1932.89 1847.93 Androstenedione 4173.01 3670.42 6165.33 2561.45 4446.58 2525.05 2775.2 2976.41 2220.11 7304.81 2781.18 4429.51 3706.09 3031.09 23297.81 3390.5 2415.89 4706.72 3571.82 1545.57 4855.19 2708.88 3309.07 2633.9 5295.3 3812.59 4072.79 7158.19 2206.66 4149.27 7640.7 1744.38 1982.65 4916.32 1971.21 3432.64 4102.93 5803.97 6469.32 3789.48 18919.23 2887.57 4647.1 3011.68 4660.25 3072 4116.24 1602.6 2699.1 4708.54 8086.67 4093.35 25109.03 18263.2 19118.01 28589.34 11593.46 18964.44 23243.81 20134.63 31422.25 15384.08 14933.82 13379.28 10516.12 24989.44 29959.21 13952.05 36951.61 32357.47 36335.05 33148.99 21087.42 19848.36 2825.42 3138.41 4375.21 5599.41 2069.2 3353.74 5516.84 Octanoyl carnitine C8 4597476.5 1839943.62 622998.81 2224060.25 3317514 1178489.38 436595.5 3948113 1293307 2305884 3672429.75 3515957.25 58195.26 1077302.12 227238.5 2387316 1933290.62 575488.44 1607036.5 253648.36 2124360.25 614295.38 2101825.75 4260214.5 1782750.38 1396812.5 4512754.5 376964.59 153381.36 204510.5 3653670.25 179623.92 57183.93 702945.44 135567.23 6309576 658295.25 2279911 26662.61 186895.36 79344.29 100921.27 115927.4 304342.94 728731.5 30700.44 171899.02 29694.3 251169.25 1845663.12 2160412.75 252972.44 12815.57 7360.05 2310.59 8085.42 12706.3 7767.62 3757.85 1385.05 16215.26 13834.21 8461.66 10709.4 1145.99 7367.33 21297.96 16456.51 7644.1 2286.02 18770.43 1710.66 9629.34 6886.28 1784.52 1780.07 1739.04 2267.31 3531.87 1231.66 1051.03 Ophthalmic acid 88857.53 91899.82 72017.56 79755.63 75422.48 180109.8 58146.7 43474.03 86448.05 44152.14 121909.7 95132.66 155622.17 91275.88 89624.25 118245.91 61152.91 95137.41 146379.61 68256.12 33194.63 131454.45 73493.91 131348.27 54074.93 99652.38 142105.77 172564.52 140361.72 100252.46 117788.74 70940.53 63873.92 162522.31 81245.23 91583.81 89804.21 101354.59 189301.83 80149.63 146492.83 42076.41 56005.38 157811.98 170028.56 62101.86 27367.56 74775.36 76350.58 122966.95 73801.04 147083.27 6921.35 10869.08 288.63 1438.03 2289.69 567.51 1486.82 0 3851.93 7693.79 2637.61 28331.31 15424.11 12119.3 45613.71 7067.44 4093.59 12541.24 74276.94 11846.79 3444.7 28398.55 0 2060.62 0 1416.28 0 0 0 Argininosuccinic acid 80593.06 70273.47 51931.36 56873.78 78323.8 49700.74 62199.41 80873.49 45408.44 57076.66 79214.38 77863.82 52436.16 85621.6 56479.84 112494.93 83017.61 76860.27 45865.64 52997.14 44019.89 44689.42 73356.63 68942.82 124290.06 48477.27 272326.78 173439.02 149734.38 148769.48 235226.05 125792.12 127034.88 227809.38 120009.38 314259.84 211731.64 217527.94 125047.93 139840.58 143484.64 132247.73 119835.27 175088.58 146555.77 79172.15 81990.09 63091.71 134420.36 180802.67 171677.48 130110.85 685.04 1048.83 0 518.52 799.98 568.93 1294.37 0 1392.93 4353.05 174.85 928.07 2344.24 1505.97 5816.92 2107 1867.26 4481.59 2789.29 1653.05 1791.4 5127.32 0 0 219.76 0 0 282.52 0 FA_C19:3 27240.75 30516.72 28156.89 54904.35 23453.98 33566.17 27732.87 15979.43 16617.41 13547.7 25563.24 45565 22287.26 23048.16 22884.03 30400.78 29918.8 21704.94 19384.36 28979.13 31222.55 26065.76 29148.19 26064.83 36064.11 23264.66 245575 76278.81 43208.55 67485.85 60421.69 38476.68 37999.96 49821.83 36237.87 39039.65 31498.74 43279.31 34678.51 23794.8 24544 36916.98 25571.2 36116.33 35058.43 29490.01 22988.13 26320.91 38661.42 37435.87 55525.82 44892.11 22793.12 26541.62 9501.86 15871.1 12849.5 15657.67 8656.63 16146.33 19011.31 19703.55 9592.09 6966.23 17064.02 18593.49 17850.23 11943.15 22758.52 15493.13 5781.01 9393.91 30460.64 28363.07 2749.69 1802.82 3232.65 4952.83 16231.52 24151.9 13178.74 FA_C19:2 74401.75 86983.59 92825.21 83818.63 75522.16 80545.97 62666.72 35460.18 52480.76 46097.42 78541.12 94732.77 58988.88 57808.07 50166.64 108559.66 71428.66 69907.4 65708.5 89681.02 79763.15 72346.12 82130.3 65031.06 136152.7 64199.19 254276.88 223076.69 155267.7 173195.45 152452.17 118218.9 137180.12 131618 131828.86 193636.14 113544.13 148722.5 115917.74 92424.56 77753.76 134523.12 94877.84 123639.78 103570.59 91135.16 85240.41 80509.07 152328.83 116843.21 189280.77 171259.86 26703.97 26262.86 18603.65 28421.4 21614.9 10276.59 25141.95 20204.09 24550.84 21050.93 19154.93 19819.45 17996.73 23686.2 39842.24 19858.67 20039.05 19658.63 11978.08 11847.98 27801.56 12801.35 4272.68 2958.81 7603.1 4450.69 31946.65 81212.01 29231.12 5'-Methylthioadenosine 382668.97 575955.5 632488.12 559425 629190.25 677852.31 876872.5 814004 929264.75 636888.44 762984.69 718076.44 814179.94 842537.31 657003.81 1231070.62 1124252.75 1170629.12 992047.94 1128165.12 1197179.5 1032239.75 1260979.62 1126670.25 1619764.38 1136099.12 1040976.44 1187746.75 1263767.5 1250280.5 1406381.5 1372324.12 1479364 1531061.88 1437879.38 1287881.75 1114924.88 1218343.38 1400562.62 1400777 1303187.88 1780910.38 1875893.62 1698614.62 1724665.5 1958840.12 1919559.5 1625628.88 1962783.5 1804840.62 2672487.25 2080779.62 1980.42 905.24 1892.75 2058.34 3259.14 2222.77 2365.34 438.17 3546.15 3210.87 2124.98 2766.45 1860.26 3439.38 4446.94 3415.78 4701.76 3872.3 4185.56 4653.84 4216.29 5353.2 746.02 290.53 525.21 361.45 272.29 1598.09 1634.62 sphingosine (d18:1) 746151.5 281514.62 231600.14 811944.31 188586.73 315306.22 333141.5 271298.72 350796.66 370561.28 1159857.38 209048.83 131295.56 342450.09 136229.89 323589.53 145112.61 202270.2 264512.78 344421.53 217360.77 542659.31 573617.69 710657.75 435379.91 214855.88 306177.03 931533 503891.47 582464.69 267604.62 371760 156451.45 363779.91 451147 409257.25 849142.94 134303.56 265786.03 151300.05 149596.94 316873.78 454821.78 300830.41 158439.86 115807.45 177205.17 257770.81 279642.97 202103.27 952841.19 356922.38 5903.84 9479.94 4469.2 21123.48 13663.33 4637.84 11962.34 7992.53 26177.54 6484.13 9075.04 9333.07 25329.96 8149.14 19261.08 19765.73 22476.22 18045.23 7642.9 13231.11 7325.8 16509.17 3916.9 3764.64 2194.39 5718.74 10687.74 14862.39 11959.99 N-acetylaspartylglutamic acid (NAAG) 587107.56 506549.91 364047.75 728509.81 375890.16 438198.25 490399.75 364889.41 465053.09 374999.47 556412.69 840616 433547.38 389573.09 438506.34 975562.81 461441.88 458051.16 423695.75 598997.81 405053.75 531048.88 547024.19 408018.91 498086.28 639455.81 415796.25 496546.84 420235.38 562121.81 514862.09 614586.38 261588.95 454271.25 302459.75 331625.59 330974.91 430161.5 363544.62 630336.44 276023.84 326392.41 549483.25 388898.75 465582.5 247585.62 200925.67 219234.62 449750.41 373076.25 385234 320980.81 0 0 0 0 0 0 283.87 0 304.14 0 0 0 0 0 329.1 508.52 758.58 0 0 374.13 0 481.52 0 0 0 0 0 783.96 0 FA_C20:3 71542.7 64150.33 57905.63 97028.12 48772.89 63905.5 63848.24 35234 40069.46 25882.18 81812.54 78317.28 45994.84 60630.32 42709.41 50223 53931.04 47813.6 40380.98 57890.34 47370.77 48309.94 65154.33 47489.23 59573.86 41580.57 146193 122172.2 65630.21 124717.66 71623.41 54644.84 55486.55 85866.03 48480.39 61711.97 89835.94 68006.03 70897.3 41778.85 40659.63 53462.12 41392.6 72009.93 55755.02 42661.53 39710.21 34782.55 60225.21 68052.56 79172.85 68323.72 13371.2 23341.47 13007.65 34625.82 19668.91 15166.08 16555.77 22914.25 19790.53 20912.82 7307.83 20963.6 16050.2 12572.32 36706.03 23286.16 24067.74 33814.32 7631.83 11987.79 42437.46 26444.27 1225.85 3879.53 2232.93 3386.32 37063.83 48724.36 33809.8 Glutathione 84723.2 88385.27 69557.34 94540.96 37042.14 72430.2 259939.88 211314 136841.97 17213.99 88503.63 168536.42 205427.94 936474.31 64096.07 3362438 1216309 832004.69 287289.97 2041066.88 3213401.75 881183.69 1722204.38 440950.97 4641406.5 838285.19 865232.56 2337045.25 2874968 2030538 2188825.75 1234980.5 428043.16 2175663.75 720585.69 1862393.62 1260451.88 1424450.62 865069.25 523294.34 183310.05 809506.31 679866.25 1258122.62 946548.25 268688.31 326730.59 30281.04 471479.16 601348.06 1903239.12 648148.25 2348.27 2038.89 1243.7 2056.4 2411.82 9258.94 4814.5 894.57 47856.54 21183.44 4333.13 12009.43 7275.9 4359.19 23775.55 1249.66 7752.09 3869.88 4080.09 5431.97 6863.37 6109.09 426.35 221.43 0 0 0 3555.97 3772.11 N-Acetylneuraminic acid 24463.83 32896.75 25289.19 29441.63 21969.13 23138.09 26613.27 22534.85 32837.51 15876.29 21341.76 21673.25 19550.8 27193.22 9203.57 44913.88 24880.59 15643.27 18705.29 22441.15 25046.16 17739.64 26127.32 20499.9 36909.05 20861.35 22647.86 36962.04 30926.62 33928.23 28407.5 26868.48 25950.92 25267.5 23872.19 25820.57 23076.02 28072.83 20480.03 21342.84 14164.83 22499.28 23945.45 23181.2 19590.11 14871.76 14862.78 10536.45 28052.68 23438.1 31717.28 21839.04 564.25 1648.27 1092.95 606.85 1981.95 1609.08 1566.54 879.56 1772.69 1564.84 623.71 1237.71 1526.01 1341.84 2145.87 1205.91 737.34 1813.2 1864.22 1805.51 1880.56 1987.83 749.66 1091.06 920.9 1203 0 0 187.46 Decatrienoyl carnitine C10:3 42708.45 86410.34 30085.78 43149.86 44985.66 48113.68 64881.76 36357.79 66366.66 18871.22 42536.59 55255.71 32591.14 54959.75 18167.33 80144.09 53380.32 37140.46 51012.84 41605.64 50192.38 42388.14 73837.46 48111.39 98984.35 59224.22 165841.06 211254.89 185964 148040.11 273749.38 148519.55 123984.71 158963.48 170401.67 167113.48 120092.94 127553.62 146310.53 81986.68 108061.98 116912.72 75226.24 139782.89 187488.75 42921.16 44318.62 37262.99 224420.86 206131.98 274577.84 217342.55 3513.38 5292.84 2230.77 6296.2 4229.79 6008.8 3652.57 1787.2 9495.1 3627.87 2458.52 4566 1659.04 4227.91 9932.28 5191.3 5668 3865.49 7192.72 3438.63 5165.57 3391.25 2138.72 2405.96 1659.33 2243.71 1600.99 1859.62 1521.91 Decadienoyl carnitine C10:2 172284.55 64445.17 27172.18 119443.59 117317.97 67029.12 35793.07 174116.47 47264.5 54966.94 117296.12 131164.42 9436.19 57566.54 13684.53 107888.19 74132.09 21834.4 83190.46 14098.93 75027.3 26448 86462.52 153943.05 88314.24 71516.87 107597.88 50926.05 28131.21 38216.32 118006.12 22787.44 16748.83 52620.29 19972.26 114147.29 31399.91 112054.81 14816.15 21950.3 16517.13 22712.4 16393.4 28129.46 63073.96 9249.83 14996 6189.13 29142.23 80000.62 106681.76 37528.83 2898.34 2489.1 2008.16 4122.53 3659.51 2946.54 3596.06 1237.25 4541.48 2633.62 2593.25 2924.47 2998.29 3352.3 7580.75 2583.81 2938.47 2751.73 4220.8 2316.52 2876.91 2399.29 1476.6 1488.86 1522.77 1279.46 1301.93 1100.01 805.67 Decenoyl carnitine C10:1 2540358.75 713363.56 295394.38 1638423.12 1741646.88 639433.5 288082.84 2047661.62 459991.66 904436.5 1900381 1581855 45294.29 599236.25 122551.05 1196648 810050.81 232351.02 872297 112703.66 835908.5 256626.83 849067.56 1802246.62 893073 830695.5 1770882.38 470473.59 205734.55 364464.09 1571297 179543.2 102614.84 608808.25 171923.39 1799073.62 420115.59 1052972.88 54141.73 199826.12 137743.17 157536.25 147675 196714.25 543659.44 41018.27 154609.7 51206.81 226275.27 893475.94 1077912.12 304862.78 31068.48 30301.75 6315.58 27708.43 36326.96 19408.05 17435.93 1974.49 44869.74 20954.31 14938.12 29465.44 10570.81 21200.5 53405.68 53372.62 23999.88 16368.01 54235.16 17119.28 26849.21 28587.45 1708.55 2184.22 2854.17 2059.9 2464.08 2231.79 1754.12 Palmitoyl glycine (C16:0) 81645.24 77380.41 69104.98 85283.63 69537.5 64338.41 63856.07 51420.96 57492.46 34393.15 85985.63 86615.22 67158.74 70883.94 64261.93 77751.74 82867.16 64552.98 54433.05 65684.53 80261.98 73587.6 71211.53 68474.05 68882.16 67475.18 84101.96 74888.06 78513.55 80746.91 73116.57 58196.14 69477.27 78067.07 71672.85 90985.16 83655.55 89454.91 78076.52 41612.27 53304.91 59828.54 55711.82 57881.42 65381.42 49385.3 48106.73 49232.83 67248.9 73556.72 104663.03 90553.74 50135.62 63690.82 42415.16 33935.96 45389.83 43328.34 35824.53 31560.67 51812.73 49517.37 37299.77 55142.45 39036.89 59463.77 55836.61 67981.17 71245.13 70422.37 70475.95 49017.99 63989.46 52485.5 5742.37 7732.84 9188.28 10171.67 57037.59 62711 47733.28 11a-Hydroxyprogesterone 420770.75 123545.28 53807.39 288019.22 288013.12 106178.52 40731.92 359682.88 76586.79 147082.25 328172.19 251706.83 7140.23 119127.5 18328.63 191927.5 128002.06 42288.67 159254.03 15903.95 150276.95 54021.49 130779 321426.12 153523.55 140847.02 289162.41 79760.29 32141.28 65618.98 273450.75 24263.74 17349.54 102672.12 28738.58 289339.47 68526.44 179620.95 7315.92 35599.77 22295.81 24071.65 25962.83 36949.79 95405.09 5454.6 22521.17 4565.03 32134.52 138078.61 165589.86 52596.01 6147.32 2903.66 1177.76 4449.24 7385.11 2307.67 1760.31 1149.14 9907.73 4366.72 2276.22 2525.49 1155.03 3015.75 10614.24 3331.44 2341.56 3353.35 8731.36 2325.84 2430.38 2643.89 990.79 1312.84 1748.83 1368.32 1112.15 392.01 426.12 Decanoyl carnitine C10 9283447 3603532.75 1289170.88 5309131.5 7686931.5 2400853.25 822072.31 8536095 2247293.25 5955775.5 8836940 6966376 101483.57 1979560.12 374804.16 4869074.5 3728304.75 1084670.38 3311509 401801.38 3949491.25 1027359.5 4083040.75 8206940 3498099.25 2473116.25 9697353 925814 392025.66 660714.19 7953130.5 451840.25 142723.52 1584494 298765.66 12730572 1654839.62 4950943.5 90144.62 504765.16 242041.7 222737.3 309453.81 463036.75 1777950.12 84601.71 441998 91961.44 579675.19 3788735.75 5108269.5 591711.56 53495.5 35300.54 8809.47 30311.56 49675.89 33379.97 13740.46 1638.15 65843 49645.47 22394.8 33535.61 7295.87 32567.31 84637.06 58313.64 42476.77 12209.36 75546.88 12510.3 36106.18 30360.05 2996.2 2553.51 4755.65 3005.63 2564.5 2453.53 2247.93 Cytidine monophosphate 61888.09 58498.89 32103.61 55800.19 38992.89 42929.01 70120.13 41874.41 36394.33 34519.31 72767.33 66868.05 42796.65 43143.57 20569.26 87177.66 62344.85 40840.68 56009.58 71294.18 73416.68 53527.27 83028.8 63535.24 127175.8 55054.96 217857.55 151943.86 172869.27 155129.27 254224.05 111632.82 99595.32 173736.3 126734.6 226412.62 195347.31 192804.73 98779.91 78299.49 69449.54 140713.97 111930.06 127601.98 100583.84 81460.3 96157.56 45593.11 159435.73 156301.75 211215.92 143366.8 1303.46 1335.37 0 1932.47 1493.88 193.82 808.51 0 868.9 1225.43 186.88 2568.99 1148.31 1544.03 1858.01 3734.79 2936.12 2765.07 5210.35 2193.98 4101.18 3073.36 172.28 0 286.53 171.09 0 0 203.83 Uridine 5'-monophosphate 124100.95 124754.49 56746.61 133628.48 73846.11 108232.88 140002.45 77986.46 44249.77 69706.84 158085.61 144523.3 84184.72 51182.85 47175.55 139011.75 120773.71 74440.95 114545.21 132040.45 159538.58 116107.29 184874.64 125128.27 232107.62 123594.05 463163.72 313655.22 309619.41 334099.88 479179.28 213292.75 184127.67 413658.72 298452.25 467856.78 425396.47 444749.38 207202.89 137252.77 124852.91 245406.5 211711.62 213614.2 244073.52 156742.7 189377.19 65126.29 377144 296063.66 451805.09 284451.66 0 0 202.23 0 0 0 0 0 0 595.87 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 498.33 255.52 N-Glycolylneuraminic acid 34447.29 49811.67 47188.4 58177.01 35884.3 44770.76 31878.29 29434.33 38716.5 29309.33 28412.71 52909.24 8864.15 37858.06 12139.89 61745.72 49333.02 36057.21 16527.68 34020.64 32656.44 33354.46 26528.37 31531.57 72541.55 19854.95 36139.85 60098.94 21461.13 17241.79 28579.07 29759.92 12762.33 17602.38 29052.16 50104.91 23779.52 39658.16 19076.51 22887.71 13666.17 43522.37 27704.79 12242.16 11851.44 22269.34 18679.24 11114.26 23505.42 18078.98 20016.46 22694.88 326.27 2695.85 1542.1 1900.28 777.04 2118.39 1960.78 0 2515.61 2302.29 999.87 2039.11 1637.91 1756.96 2295.4 2480.57 2515.86 2796.78 2549.73 1160.34 2862.76 2482.51 0 0 0 0 0 0 0 Oleoyl ethanolamide 1107749.38 707289.75 513740.53 1076532.88 539830.69 609645.31 671000.44 604515.19 660991.25 603101.12 1570831 444010.34 297744.94 722972.94 266438.28 813794.44 415610.22 443290.97 382709 607543.94 505446.78 679271.38 1034665.56 1192077.12 889005.19 530994.5 504248.59 1228009.5 806943.31 825015.5 518508.59 631473.5 385220.28 627429.81 735797.25 774889 1163601.5 308371.22 356946.25 360070.16 290453.22 521516.25 585648.62 470583.41 280392.12 212607.95 298433.62 325267.47 648926.56 442209.78 1268487.12 632681.94 30113.33 58148.54 25652.05 39275.83 25647.53 25813.04 21378.78 9861.42 49344.86 27875.43 17963.67 43782.88 27977.28 73026.12 79046.59 57686.97 46383.47 39173.89 31726.4 50076.28 32633.62 27077.68 4481.63 3859.1 2731.91 4760.29 15486.72 19229.22 22312.91 sphingosine (d20:1) 638699.56 408097.66 246247.64 714616.56 253007.8 350068.16 357287.16 326768.28 441546.12 453148.62 774709.44 269569.47 211785.06 347501.62 153709.89 345448.88 177638.81 252690.56 349217.97 425423.47 249714.3 469366.47 551134.81 648029.94 468836.97 282097.72 367045.91 882712.19 504158.5 618439 430451.41 447404.22 308562.75 395170.88 410672.88 411752.78 746889.19 185592.69 304478.47 232156 217778.33 360068.84 499071.16 360335.5 240749 221082.77 264516.78 276779.66 351471.59 231190.25 719847.94 354573.12 50787.9 47660.92 28521.4 39664.21 46136.96 41038.39 30460.18 26675.53 63348.69 34280.51 21942.27 43644.59 35655.91 42926.43 52905.43 48908.71 50550.56 39796.08 40391.38 48667.23 53187.78 33843.55 8842.09 4748.58 9968.73 9117.84 74044.05 56861.14 45940.77 C22:6(Docosahexaenoic acid) 10458.13 8110.41 10880.98 11605.92 8997.2 10803.21 9862.92 8804.47 9053.04 4904.79 38836.33 18068.16 9872.84 8602.35 15843.88 7737.8 10743.91 12135.52 9876.84 9201.22 9599.69 11652.35 19703.99 10194.89 33071.66 9433.7 16210.41 35518.47 14235.86 21308.74 11809.18 10202.76 7384.25 16694.62 10923.53 8049.21 22704.88 15444.74 11656.16 7464.54 13289.54 12395.2 9794.43 9084.47 10105.2 3346.06 8882.37 6374.03 11158.13 10693.38 33184.52 9386.73 26013.67 21769.37 11242.8 20486.15 28715.28 15351.26 20317.97 17313.75 19395.22 13378.19 11246.34 24176.72 8430.85 20681.02 23279.52 36189.63 11083.94 23915.83 14676.51 23787.76 22326.54 11720.67 4317.12 3697.02 4472.92 3567.89 12341.21 19593.87 12294.58 Cyclic AMP 57254.21 60243.86 38919.68 61990.3 38079.56 61488.92 64129.21 37886.78 30090.38 19352.98 79732.4 47210.93 37733.79 36165.45 23497.62 84076.13 34156.16 35308.29 52851.35 54426.79 50826.61 62264.31 70214.63 47746.72 97484.57 64761.53 85906.56 112835.2 98349.81 98537.13 69544.66 56979.19 51091.97 73732.55 42159.36 62326.64 100158.71 111677.75 61334.98 35976.2 31881.69 55051.84 36473.51 58839.9 42012.39 36056.75 43211.43 26785.07 78714.48 56776.69 95991.35 51552.48 0 0 0 215.29 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 216.59 276.03 Nicotinamide ribotide 23490.98 10960.17 16134.38 14634.4 25657.66 36166 37172.31 13319.93 27398.94 17104.27 33802.08 39587.53 33467.46 23379.27 9533.91 43988.71 33910.2 19165.45 25948.95 39941.96 21922.15 38135.34 29119.66 19364.45 18745.08 19777.65 39344.31 63179.07 48190.14 48509.33 54197.78 41353.37 38279.39 35909.93 36996.38 49552.04 38821.43 43018.66 41339.63 27786.57 32242.83 37215.22 35595.22 41831.25 37500.62 28728.04 27006.1 22197.52 28283.71 39257.07 40719.71 38414.41 0 0 194.26 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 385.26 302.39 Fructose 1,6-bisphosphate 338697.53 2002546.62 333258.59 471087.78 678594.44 759504.25 680941.25 447978.03 383787 134581.8 329767.84 422783.09 513122.09 401623.25 245188.39 1068368.12 917011.25 514229 443874.38 809435.69 450807.38 852857 562333 515322.28 512025.28 468137.75 89414.8 462067.25 688473.12 298900.03 142856.27 602528.44 758366.94 507853.03 554791.31 167016.33 156984.45 154684.8 524727.69 286881.44 249972.88 566769.75 300311.78 750785.81 408825.09 342989 337221.47 202548.48 332155.09 492174.25 275700.78 330372.47 1819.43 1073.11 1127.99 610.24 469.83 450.13 316.95 0 0 0 0 0 370.58 0 0 213.45 0 0 0 0 0 0 0 0 0 0 0 4151.82 4312.36 Dodecanoylcarnitine 10619188 3738120.25 1713882.12 5884344.5 9133560 2869794.75 1223165 10620185 3037930.25 7834792 9031820 6769113.5 165630.31 2600524 596594 5608172.5 4910198.5 1418175.38 3681271.25 508710.16 4513657.5 1341444.88 5023239.5 8607316 4359103.5 2683203.25 12897536 1012273.31 490684.12 763853.5 12768747 848230.5 254842.06 2006893.62 532694.19 18358630 1952355.38 6177715.5 152167 765456 414368.41 402801.91 623269.81 613343.06 2898358.75 130557.44 704036.69 142187.64 926968.31 4646708 6377657.5 878384.5 91977.6 50187.3 15991.35 43451.04 91461.24 47500.95 18812.01 1456.87 73079 62723.12 42124.66 43043.31 14561.12 49812.74 154019.58 75701.54 38751.86 21747.6 108339.99 20843.77 40835.69 29883.8 3622.32 4330.45 5204.55 2961.59 2096.06 2256.69 1876.73 Adenosine monophosphate 8464395 8827103 2031946 7548385.5 6333334.5 5018285.5 5501079.5 5805788 2594980.25 4287944 10749163 8418683 3349446.75 2354814 1832797.12 6103139.5 5545658 3528987 5093391.5 5003271.5 5073756 4576051.5 6502164 8064113.5 9013179 5397687 17105468 9953317 7519841.5 10408017 24221274 4385022.5 4152943 11492183 6775594 22344270 17448136 15157625 6011348 4073644 3064950.75 6173732 4186302.75 6047560 5905813.5 3173553.75 3923627 1729770.12 7916414.5 8422248 12098216 8021342 2842.35 2576.35 6246.75 1585.75 1792.89 1451.53 1651.36 1234.24 779.62 2238.3 1067.79 810.44 775.55 1142.38 1040.29 1190.47 827 1061.41 975.36 816 384.67 853.79 614 717.8 803.09 550.38 640.19 17940.21 12661.84 Inosinic acid 10165252 8008333.5 947637.69 7023077.5 4019353.75 3451736.75 6021391.5 2412484.25 1140410.38 4520696 8195642.5 10766645 1855969.38 1012727.44 598818.94 3955482.75 4636460.5 1650879 2668461.25 4317903.5 4068132.75 5285345.5 6070842.5 5530918 18634954 10939456 33000422 11812545 12229125 12367049 19375226 2174852.5 2787072 12599095 5681413.5 14410084 23712688 20757810 2762070.5 1872466.62 1440597.38 3305371.75 1272220.5 3272749.75 3130470.75 1463260.38 3212206.75 1231965.88 8510008 4632521.5 6396848 4275495.5 10254.33 6225.44 5631.48 4983.15 4443.52 3882.04 3345.63 2999.26 2762.04 2629.9 2191.91 2147.27 1937.52 1742.87 964.37 1421.72 1496.03 1414.36 1554.86 1379.59 1062.43 1538.56 647.41 800.86 549.22 465.39 0 17562.11 10886.75 Cortisol 22927.56 41576.99 33576.29 29999.67 18266.44 21838.98 38895.5 35900.38 20251.13 9618.7 35456.89 65916.28 22868.51 18453.46 28283.38 25350.82 16720.71 86814.66 31576.02 36783.46 23736.42 21258.12 24132.51 28579.34 20063.43 23344.57 29494.37 38508.12 27910.99 24552.96 43232.19 24210.78 38291.74 24234.91 11852.1 25352.49 38192.93 26524.44 18446.61 21801.08 9735.63 18554.2 21990.61 14618.18 18126.67 8776.8 9751.72 10958.46 13889.96 23144.37 23842.9 24207.42 443946.72 529865.44 300876.66 532807.81 361895.84 369095.59 359706.5 416127.16 563448.06 344770.09 325435.59 484748.38 337523.16 439143.53 646349.31 639201.44 592559.81 584285.19 617781.31 723731 447433.38 705250.94 63061.48 52562 74757.71 81879.26 13523.83 37200.58 11507.34 Guanosine monophosphate 131488.62 127900.38 64652.27 118546.74 85779.5 102972.21 132511.52 87518.88 83220.12 120640.5 178903.12 134544.98 85274.59 71047.38 39344.39 130317.4 119415.09 78103.74 95855.66 127436.06 127085.12 94073.84 179946.45 145233.8 231508.67 108338.87 583699.5 299877.28 311073.5 268264.72 412910.34 175052.55 153133.12 370664.62 253837.44 436615.12 427484.41 430518.41 191394.02 132742.11 104614.38 204839.61 158037.94 205629.75 203078.77 127393.34 154843.3 71910.88 304477.94 281246.38 359989.09 250576.89 316.25 232.77 539.76 629.62 258.5 0 0 232.93 245.74 1867.44 0 0 426.37 427.43 233.41 1348.23 461.07 324.4 0 858.32 251.36 0 0 0 264.47 0 0 1679.97 1368.56 N-palmitoyl taurine 130760.57 88459.98 79716.87 98528.02 88316.69 94217.41 94661.1 101746.7 83854.59 48525.21 99952.41 65197.54 59970.07 94238.3 46341.72 150004.66 110906.09 102336.96 66025.15 81735.59 96222.85 78470.16 120946.87 99681.68 136958.81 71125.14 364761.41 201741.88 250722.98 222011.62 288139.16 214440.67 160345.3 286512.22 158802.41 283848.91 230984.52 158501.58 150768.86 145210.89 152364.58 170172.61 175725.56 251308.55 147943.64 108106.02 125603.9 72378.22 192381.33 208234.98 261273.55 159021.33 18644.82 11295.13 2416.84 22928.93 7687.95 4767.62 6299.5 5861.21 6201.23 4446.93 3614.14 7363.53 2437.81 3668.91 19605.49 27145.91 15980.13 10157.91 7650.95 10818.18 82060.91 21415.04 658.11 639.68 488.35 683.79 11279.49 20780.36 9092.55 Tetrahydrocortisone 7934.71 8473.9 4706.59 9033.28 6484.81 5038.65 790.18 6278.06 2426.53 481.26 9166.89 4946.34 1911.46 2086.53 684.55 3855.74 5833.89 2261.65 5530.57 5544.55 1956.95 1986.45 5945.12 9591.16 4014.45 8968.08 3636.7 16469.41 3916.49 6131.26 4893.06 3409.28 1854.87 4118.35 0 2371.21 4491.78 2691.23 2044.04 2261.85 2861.61 3991.99 2079.52 3161.28 3878.31 3354.46 1829 2714.66 4760.58 2700.69 0 4119.68 1872.69 1904.39 194.4 649.11 0 1272.56 1698.1 469.47 0 334.54 0 1082.89 335.95 0 2306.11 0 757.92 0 0 0 0 936.32 864.34 517.6 671.32 396.47 1073.39 1965.29 794.4 Tetradecadienoyl carnitine C14:2 2468416 928584 262854.78 1620576.38 2286843.75 491453.38 262327.34 1937311.62 362769.66 1392374.38 1654282.62 1130137.5 21583.05 457217.03 113475.6 927145.31 754249.75 183616.7 400638.16 54721.09 613885.19 204536.19 602120.94 1523676.12 777029.5 537019.31 2573224.75 321387.78 60539.8 104513.09 2641724.5 139722.42 31466.19 439100.75 96545.63 3602894.25 426445.34 1405574.62 27475.08 71781.09 56298.84 113410.99 79602.45 152784.52 498935.66 14206.54 94828.13 38479.13 63678.92 846816.5 1279267.88 305760.38 73108.81 45445.84 8531.48 37795.81 76349.82 23747.13 17567.81 352.12 51803.21 41277.36 24130.31 34440.95 8331.79 30361.22 111772.88 50879.34 29398.87 11178.81 69160.66 6808.16 24225.73 26061.16 1937.2 2251.17 2938.1 1955.53 1080.04 815.93 476.9 Tetradecenoyl carnitine C14:1 5344446 1307341.62 730997.94 3785522 5251469 1400569.88 587555.75 3779136.25 838488.75 3740684 3676198 2283774.25 49877.01 1104374.62 278539.84 2072229.38 1388934.38 339074 1120033.62 149070.23 1254342.38 452427.5 1612510.38 3434132.25 1376777.5 906497.5 4843893.5 419601.22 132058.36 311465.78 4151250.75 240706.73 85730.26 1099128.5 294517.41 12506557 1441002.5 2687271.75 34849.14 350485.28 182371.42 158374.91 253883.89 241409.77 920563.19 52378.68 259483.31 93793.13 301394.34 1484666.38 1880418 744167.81 164570.7 121040.51 18451.18 41745.13 97617.48 37254.67 24343.17 1763.87 143987.97 81562.52 52188.05 70070.91 16665.85 50140.93 408827.41 301904.78 154037.2 34081.51 299254.28 28159.15 44537.6 59791.45 6977.72 9085.55 7567.39 7476.25 2229.24 1688.67 1857.22 Myristoyl carnitine C14 4890329 1782833.5 860903.81 3052547.25 5473448.5 1419145.38 542680.12 5860286.5 1568401 5891148.5 3825719.75 3108515 78542.95 1190912.38 319162.09 2462780.25 1918577.5 598128.44 1906967.5 241090.86 1832037 692343.25 2389553.5 4485624 1845898 1096337.88 6974740 463729.47 299318.72 412822.38 7109386 470961.97 203130.75 1163948.25 501260.34 11129663 1209553.62 2685959.25 74915.34 589307.88 388116.03 300272.5 470686.84 336057.66 1692323.12 132467.7 538899.5 216359.8 623983.31 2199506.75 3198438.25 743132.19 79051.55 38258.91 12292.36 35213.1 110312.47 36231.33 17048.07 1019.18 70353.2 54199.2 39063.83 31710.68 9655.3 41969 194351.98 164158.89 103097.12 21215.22 130646.59 13091.38 42603.53 33513.5 6549.37 7638.02 6118.41 5973.1 1110.47 1101.95 942.35 Riboflavin 3434.3 4515.38 3915.61 6964.22 3861 5064.06 4570.97 3289.25 5940.83 2175.28 3898.51 4477.6 5423.13 5450.29 1440.44 6297.96 5001.04 3498.87 4017.8 6762.42 6261.81 4734.71 4561.84 3739.47 8952.24 3706.29 7931.87 13710.36 8914.17 9958.48 3891.99 7138.04 9163.48 9937.67 7953.91 6499.66 9867.66 5622.37 4792.67 4218.19 7556.18 7896.44 8109.76 8913.68 5768.82 9144.24 3778.36 3227 3784.53 2529.45 3257.25 2552.81 2050.96 2172.79 344.35 2168.53 2223.84 1594.95 1561.11 0 3408.24 2085.26 666.18 1812.37 2157.97 1775.88 3904.82 4374.61 3592.86 4621.37 2518.92 3522.8 4271.78 3961.24 0 0 295.38 0 0 0 0 sphingosine (d18:1-P) 33983.34 35538.16 28817.49 45874.16 32900.88 41111.13 55387.45 28414.89 36993.48 16668.22 47147.78 49625.38 60403.44 57737.06 38973.12 71268.37 48375.02 56598.11 47650.03 62280.77 53250.93 62425.64 56095.25 46304.26 55286.86 64541.24 57515.2 103715.94 91908.73 100190.44 107936.16 92919.53 66152.1 89571.38 97234.75 109640.96 68410.34 111580.7 105395.38 69830.9 53088.36 89241.91 71050.38 102597.98 102193.02 60199.73 52980.23 45592.47 91794.12 83221.96 120387.74 104545.95 19403.28 31897.92 8547.86 26014.44 23873.66 23922.69 22323.59 654.34 46648.13 38810.64 11746.87 22931.04 14111.73 20664.15 40723.21 54174.79 50136.19 28531.7 45367.02 54793.43 51012.74 48666.81 3476.79 2952.34 3184.33 1988.27 801.17 254.99 666.88 FA_C25:0 0 0 0 2004.84 0 0 1309.05 1018.06 1419.85 0 0 2061.48 0 0 0 0 0 1285.62 0 0 0 0 1520.96 1043.14 1272.52 0 0 0 0 0 0 0 0 0 0 0 2904.91 0 0 0 0 1013.86 0 1016.57 1740.38 0 0 0 0 3276.91 1775.77 0 8438.02 3290.9 2547.89 10985.87 7199.59 15646.76 14575.16 0 3994.73 6794.51 9868.62 6194.97 4182.8 11064.13 0 14192.66 6030.53 8203.08 0 0 3266.51 0 3426.45 4853.07 5925.9 3661.31 1542.84 769.96 833.03 S-Adenosylhomocysteine 21167.85 28445.57 16697.08 22586.7 18221.92 24860.13 31879.82 16071.62 11318.8 11154.54 30636.19 26062.16 19302.1 20369.3 8599.15 45215.57 30691.79 21595.2 22986.09 40303.81 38339.63 33975.15 28984.55 32658.24 59494.63 33454.1 36287.78 43085.21 21700.7 32924.77 25291.88 18305.98 15321.73 21186.36 22111.02 29291.06 35252.61 38375.73 19910.5 20609.09 8541.47 22858.05 12736.26 17499.7 13261.1 18895.7 18784.47 12069.55 25383.49 24779 32275.08 14947.82 223.91 471.56 215.72 0 184.86 244.6 0 0 268.24 820.94 0 249.69 0 0 276.37 330.47 265.9 0 201.27 235.33 297.48 252.83 265.61 0 203.41 198.45 441.93 330.98 521.17 Pentadecanoyl carnitine C15:0 144391.67 53252.54 22531.17 80819.66 137294.62 38843.75 21537.87 152882.14 38100.5 208556.33 163508.06 77556.35 6854.51 42859.54 12494.86 62881.69 41652.97 19180.27 47693.52 10880.87 36500.45 24299.08 63992.28 118694 47155.56 29564.17 171282.73 29998.96 14154.86 22058.28 174929.56 21335.45 11648.84 38042.44 21534.62 266651.47 49681.91 84565.74 7632.59 23966.3 16817.76 20386.08 22375.35 22207.68 51839.75 8508.25 20157.59 15524.49 21556.95 63820.84 93032.13 24544.93 1842 3851.04 2949.61 3859.2 4924.2 1790.51 2092.67 2285.17 4534.59 4965.63 4136.91 1570.09 2112.18 2501.98 3160.79 4677.77 4009.85 2380.35 3803.25 2580.63 3651.34 1685.63 2940.03 3645.08 3033.86 3321.89 3108.93 3167.16 1952.43 FA_C26:4 9030.64 10223.53 28960.94 21037.59 92698.47 19887.54 3178.22 4871.07 7178.7 6439.29 33644.51 76575.74 6921.42 9409.83 4698.79 2623.54 6936.33 8273.53 4953.31 8537.16 4302.53 7474.16 20931.59 5639.86 4588.3 7897.79 12821.69 25219.22 9937.62 22050.62 5522.32 18326.19 2119.95 6703.92 6198.58 10246.62 18584.97 3477.87 4748.96 3596.54 4103.36 7391.87 6332.14 11580.15 2583.63 3796.58 3241.03 4215.23 4835.55 14349.18 14445.36 5551.69 6279.25 28141.53 7966.36 21879.34 17271.3 18391.01 7947.23 12339.2 20499.75 8161.67 5839.56 3115.5 14065.42 22572.67 11998.95 25027.55 9818.12 16150.87 16427.79 4385.63 17192.05 4789.3 622.26 633.29 537.06 2811.11 3487.96 6359.62 3631.71 N-oleoyl taurine 182937.92 71140.66 70109.66 102423.99 100213.55 79317.84 86621.49 103193.2 56766.14 54855.82 167396.31 58380.62 49844.2 114582.57 47521.75 125954.16 90533.62 88171.16 47633.09 54937.64 78571.14 59436.86 96443.41 110648.44 107864.45 66629.73 501504.88 211091.11 255143.17 270186.22 358917.16 236044.55 170930.92 357880.91 149527.7 353082.12 369218.84 162327.95 148065.83 165097.08 175339.3 186141.17 178539.44 248010.64 131014.59 105272.65 119447.03 75432.15 181030.27 254210.69 231580.94 189637.58 3695.14 4258.05 2257.2 5204.9 6528.6 5468.63 3270.31 5994.45 3728.01 3723.63 3370.37 5545.49 2778.36 4012.5 7671.11 3007.11 4221.67 2171.49 3262.07 3225.34 4859.38 4283.1 650.74 663.57 730.81 647.88 7109.99 14157.48 6935.1 FA_C26:2 55024.04 63936.64 58749.23 69973.08 62288.38 45092.27 35816.3 37759.93 36407.49 23428.21 81764.6 198707.7 52036.31 49555.58 62469.98 50411.69 47520.38 53596.33 44661.29 46950.15 55254.44 56471.75 76883.15 56514.11 56053.12 58908.75 60909.64 65421 59198.54 72851.84 61751.71 52051.2 53504.5 51480.43 49062.48 57807.14 70269.09 55669.95 54902.21 34774.87 37685.58 47818.3 33501.01 57027.23 47610.63 35910.23 32213.74 30063.13 40397.31 61054.81 72999.49 60988.55 31076.67 27670.34 16289.7 24802.13 22429.27 5556.02 8801.43 21529.82 17540.41 17408.08 10888.82 20250.79 26179.97 26248.07 22579.99 20146.85 27718.46 13010.25 13762.98 19986.29 20236.86 2414.69 2077.52 0 1325.3 2223.27 49986.43 63616.18 47546.82 Hexadecadienoyl carnitine C16:2 1782495 907702.31 247686.77 1113015.38 1965934 405459.75 150652.08 1825922.5 519854.25 1675576.62 1279897.5 1139163.5 15145.1 393698.12 64232.93 727376.56 598435.06 220137.05 820064.81 67267.47 564951.25 259714.73 697714.69 1318383.62 756335.81 442361.5 2923767.75 155198.64 39334.25 127037.31 2974500.75 86542.08 28639.51 337508.78 63690.64 3269738.25 375143.75 1239398.38 12740.93 119869.09 55997.38 48487.78 62476.54 124452.16 786995.69 18705.08 146667.8 27653.78 83120.77 754883.06 1680373.38 110922.62 18405.91 8872.03 2536.04 8283.25 22808.76 6544.17 4291.1 310.5 7944.39 11690.25 8764.45 6071.39 2685.11 8639.76 18389.56 11942.51 7320.78 3513.83 12955.89 2366.26 5729.72 3641.33 1016.26 1414.19 1410.33 1455.07 515.58 318.39 379.99 C26:0(Cerotic acid) 7638.18 8080.21 7741.99 9078.73 9017.13 5784.06 6819.45 6344.27 6645.03 3163.26 6103.24 5726.73 4947.38 5538.74 9351.32 5735.77 4001.82 7723.39 6683.82 6233.2 6799.06 13909.65 14111.38 15982.39 6882.9 11362.09 5876.11 4997.22 12192.26 5519.78 15204.8 5892.65 5412.4 8071.31 6267.19 6181.86 8109.14 11248.22 8118.5 3302.71 3652.95 5310.01 3627.9 14987.36 5769.66 5391.91 31982.72 8399.23 5661.04 10859.82 9152.94 8985.72 3699.6 6084.12 2016.59 15437.38 5524.17 3087.94 3485.25 4919.32 5417.74 7132.82 2476.32 21219.03 11042.49 61031.02 101525.77 46263.8 10963.14 3837.73 7588.66 21871.08 3063.66 14605.9 6912.9 5717.94 3893.27 7517.2 6911.09 8178.84 6674.44 Hexadecenoyl carnitine C16:1 10311652 2193991 1365084.38 3314975.25 9794239 1675418.38 591733.56 8921833 2198099.75 9646768 7955370.5 3392294 66938.27 1574634 441514.41 2767632 2163181 600343.06 2245378.75 175563.55 2235810 809313.94 3388101.25 6917607.5 2524818 1432961.62 10299174 539732.31 290772.16 462897.75 9451244 486926.75 191901.38 1778908.5 792486.81 14803449 1944551.38 3478310.25 65673.51 654063.06 476811 390034.62 592128.19 376672.09 2448916 100756.94 710018.69 245973.8 745968.81 3629858.75 4830281.5 771556 88041.97 43345.05 18531.88 40727.47 125285.73 39623.58 23551.11 1271.54 84681.76 80976.26 50715.94 36104.92 6270.93 56603.36 124553 108634.31 73560.51 20495.01 74779.22 12064.27 48006.8 26361.09 11259.19 10155.11 7204.07 7104.18 739.02 957.68 491.52 S-Adenosylmethionine 352771.22 403236.97 361435.09 326808.88 269744.28 358106.34 424728.91 285408 340496.88 158948.61 359441.72 346212.47 337311.84 395692 200726.17 572979.19 454868 423012.12 317333.03 490456.16 478444.16 398545.16 426610.84 372314.03 609817 382164.88 314909.41 432977.91 435295.91 381359.03 378128.88 315727.78 256363.67 384067.25 284853.03 376914.84 324164.41 356999.47 322385.22 201487.92 189520.62 295465.88 250720.02 358052.16 299448.41 187967.25 177580.5 127764.02 311190.62 306027.47 429616.75 314450.22 660.71 275.88 292.11 473.35 270.06 205.71 218.83 0 198.25 187.45 178.49 197.52 0 189.3 190.86 0 189.62 0 0 202.18 0 0 0 0 0 0 0 2246.45 1961.83 L-Palmitoylcarnitine 14242563 3458470.25 2150564.75 5199711 17069752 3210224 1104926.62 18770240 3588103.75 18045754 11827427 5183469.5 174671.58 2380189 872371.94 4521114.5 4619162 1060310.88 3400043.25 366349.16 3246109.25 1140281 5096368 12190844 4053667.25 1907436.12 14898917 1225033 762503.81 1154863.5 17225544 1306493.88 717903.25 2809048.25 1788648 18111026 2865323.25 4852971 248572.98 1043978.25 1184649.5 1180951.12 1511522.88 800989.81 3393028 404597.59 1432665.38 659646.19 1525750.38 4346069 6462213.5 1062680.38 158517.88 97332 28135.36 118576.04 213573.69 95768.69 52500.82 1820.74 188614.36 99819.66 89988.38 53204.12 32292.74 89419.41 247781.33 290977.53 209904.06 76459.4 139707.53 56862.2 122567.54 64512.71 20171.62 18121.96 19983.67 9695.1 523.3 1316.17 381.89 CDP 12615.65 16023.83 8572.85 10365.01 16234.29 15258.84 9755.62 10757.71 14532.25 3554.12 9946.99 6658.37 16454.66 13924.11 10702.58 20590.07 15169.69 15489.63 5460.92 19974.16 14054.07 20121.38 19523.93 4529.17 7085.54 15157.49 12815.16 26414.11 19632.95 20322.66 28049.24 9894.38 19587.81 17793.95 20883.57 22766.72 14188.63 13468.72 22645.5 13809.26 12301.39 22818.36 5837.11 21723.44 16586.82 14796.79 20538.38 8576.73 22985.29 19970.89 12769.2 13140.61 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Uridine 5'-diphosphate 48421.46 41298.62 31269.71 52192.05 25623.02 27645.04 27854.03 22609.43 31820.07 20022.57 45439.98 40385.25 22278.64 37997.2 16578.05 63907.95 43420.17 23026.9 38253.77 40812.55 55691.92 42701.45 75693.84 39497.13 73396.09 41189.28 79465.65 99746.56 83818.56 105131.27 105245.4 55760.3 66774.65 84619.71 75598.97 76439.95 76230.57 63107.79 60294.67 60747.09 38586.45 71105.46 76515.47 53644.62 74751.96 46168.7 63417.11 33688.83 104879.1 60943.99 92211.7 77944.76 552.81 301.11 0 637.24 0 261.67 440.66 0 366.26 449.56 0 0 867.38 1314.77 0 472.23 0 512.8 720.89 374.44 379.28 386.86 0 0 0 249.84 216.43 0 0 N-arachidonoyl taurine 120995.85 52857.69 55672.49 43518.37 52860.05 49911.95 32987.2 52089.36 106306.15 135745.27 56068.27 43519 64134.39 89000.94 47274.67 64088.96 51248.72 49380.93 40871.2 72327.91 64540.25 61577.52 55338.37 42988.69 31422.44 54054.66 208877.27 31512.81 48428.96 80512.1 100678.76 46642.07 55029.71 92945.23 45083.96 29255.95 36723.67 39084.93 161570.14 129606.94 223694.56 36027.73 140154.69 53519.11 34768.95 53821.95 31082.93 117403.96 185187.62 77798.34 39223.48 63166.82 18286.33 21334.18 28531.31 50255.66 16119.06 30046.62 53194.72 14427.36 19134.44 17368.32 13985.47 18422.84 21240.67 16039.52 17850.37 11335.37 37291.96 16978.73 9205.52 12710.42 149869.64 11073.59 12387.47 4521.76 15592.43 35447.93 17051.07 27456.02 24616.64 Trehalose 6-phosphate 12958.97 6891.38 19048.86 6860.23 10644.97 15452.67 18599.78 6700.89 5887.13 8468.48 14200.69 13811.55 18219.36 17836.28 11286.04 19049.61 13279.78 11821.82 15547.52 23522.19 11605.29 15979.33 21464.29 11071.51 26547.35 12010.41 8408.62 26473.54 8796.35 2127.7 532.93 4451.25 8637.52 6363.01 5064.95 7032.44 2166.88 3164.54 11042.34 4410.33 3788.1 4196.28 5153.71 12708.95 7019.17 6010.01 7468.75 5214.44 5449.92 3166.67 7302.91 6661.22 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Linoleoyl carnitine C18:2 9196213 1962531.12 779577.06 3111077.25 7798044 1387036.5 423601.25 7479839.5 1275240.38 6690132.5 6082974 2477200 39614.31 938913.75 210920.52 2003407.5 1593322.12 522933.34 2074920.38 127075.45 1411630.88 654972.75 1938969.38 4432559.5 1979074 1058089.62 9232104 540169.94 136150.58 426094.75 9612002 358951 160247.64 1099208.25 339994.03 8549692 1197615.62 2436898.25 50487.21 292940.38 210913.39 220116.27 245242.2 303292.25 1806587.88 66062.46 447311.59 110966.69 202959.36 1707153.12 3694105.75 331825.78 72296.99 31220.15 9841.33 41591.86 70810.79 24482.88 18606.77 309.1 42205.43 42697.29 36193.61 23751.57 6936.63 31810.88 58523.62 58434.61 36334.36 13883.17 40919.09 12433.47 26508.08 14575.67 3249.41 4762.21 4977.36 4829.36 454.93 291.98 285.18 Thiamine pyrophosphate 99981.09 117178.88 113407.48 98790.35 87999.96 134928.36 133817.39 91873.75 113114.53 48476.98 108954.69 103917.48 123794.41 166380.56 63538.6 199210.83 133116.61 120191.21 103143.7 137801.47 142678.64 128543.47 123421.28 124399.38 167102.23 85728.85 149856.14 233976.42 191019.67 210076.33 234397.58 216101.2 169079.81 223150.25 196724.8 205470.25 168952.39 169901.2 171680.67 163891.39 131426.84 184175.27 167877.83 142981.44 172269.27 115312.52 100367.37 84932.27 161091.12 157598.19 221122.83 167627.16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 681.22 423.01 Oleyl carnitine C18:1 30086486 3935336.25 1791015.38 6680592.5 17787806 2993328.25 977407.5 18081070 2926552.75 19384528 23317338 7327548 121995.65 2738539 614627.44 4163530.25 4441067 1284680.12 3845590.25 309387.41 3559563.25 1448382 4341568.5 15821988 4169722.75 1830296 21011492 1071153.62 432063.66 864994.69 21594614 726572.5 312084.84 2727302.75 1000245.19 29076216 2933158 4494967.5 157174.05 836486.5 528813.06 565641.81 734431.31 648077 2609689.75 175607.88 934143.44 265755.28 702561.81 4103391 7640970 924184 158596.67 107072.6 39298.46 136348.89 220834.58 70005.18 59045.64 1774.59 213002.75 165391.77 152876.73 79403.54 21051.15 106287.31 203101.62 286508.31 188869.98 68715.34 113268.44 33356.42 87228.3 37952.58 19174.15 18732.76 14880.92 10775.23 847.53 1322.81 1314.28 Cysteineglutathione disulfide 95078.25 96502.44 130413.62 100540.1 62299.42 144047.61 123664.09 94004.55 146799.83 46613.63 107850.55 110155.05 101485.46 93467.91 76685.34 250961.88 128772.41 132969.23 99114.8 174511.34 149473.2 129468.81 159144.55 110214.41 191733.61 113218.25 63006.62 148402.77 114944.9 115050.5 79397.72 131090.95 76276.95 100159.59 81622.38 63132.61 65440.78 98367.71 117762.74 78713.1 82601.59 92587.31 106483.77 148243.17 131620.06 64887.78 49306.8 51778.47 101437.41 120873.34 113879.87 136670.48 9351.12 7761.32 1969.05 6639.4 18560.63 9455.19 11502.82 272.74 8783.67 12469.41 6325.8 8225.41 5144.85 14468.71 13829.64 24021.55 25768.67 14798.32 21706.26 24547.44 22199.1 16662.61 2036.85 1340.21 1894.97 1088.68 0 205.19 0 ADP 770649.44 823844.94 821878.69 699021.12 695721.25 811761.56 846932 773829 787184.31 501312.34 805609.94 813248.31 767870.19 751518.31 726402.56 740182 838936.75 792127.5 812408 834136.94 801954.25 871246 892105.75 928185.44 857268.31 865758.75 696563.75 1584476.38 1022110.75 1407032 1761960.12 1133176.38 978548.31 1206476.38 1453248 1317095.5 781653.44 908989.31 975623.06 1080446.12 1016101.69 1708294.62 760195.5 1451441.62 1646108.38 860864.19 863287.5 536073.94 883160.81 1269281.12 1129221.88 1082843.88 4773.06 3539.6 2930.83 2827.59 2137.54 2187.34 2141.56 1584.24 1848.32 1943.99 1602.81 1715.03 1323.29 1637.71 1552.4 1395.51 1150.14 1367.37 1549.17 782.72 1252.35 1144.17 1349.51 954 672.35 817.74 0 13936.2 12168.57 Stearoyl carnitine C18 4168889.25 817630.94 400318.78 990487.31 2838483.75 800460.31 312021.84 3329547.25 805274.31 3549479.25 3306624 1626413.88 61833.78 539114.62 133809.44 830598.56 787859.19 374557.28 964280.69 126351.65 817406.69 375486.75 1137253 3476353.25 825022.81 426736.53 3715258.25 229354.38 122905.82 164505.66 4036560.75 189364.25 84768.04 420564.62 214039.7 5161369.5 490331.28 1102598.38 68884.62 186376.17 111937.98 119949.84 169804.48 198845.62 579687.94 71219.84 197044.73 61136.2 201491 812472.31 1403858.62 168428.25 12172.01 12723.28 5084.81 15579.45 23353.87 9892.21 7339.55 465.21 32016.59 9356.48 12529.85 9931.42 5716.1 9279.66 21948.36 32555.85 23498.86 14453.46 12022.45 12087.1 14939.42 9824.52 2322.17 1363.3 2316.15 1445.17 377.14 312.15 278.55 IDP 10548.56 11500.13 12468.48 11458.26 7342.75 16197.48 19120.14 2865.85 5148.18 2666.87 10881.77 7602.63 13593.31 11092.22 2937 30288.35 16986.46 8651.01 17956.81 27441.31 17960.83 30160.2 29645.64 10826.97 31181.98 9947.08 1379.42 4857.4 13124.14 2011.6 0 3655.3 6432.59 3749.13 1648.66 940.25 1976.68 2356.52 5346.68 900.6 11436.24 1527.23 1405.06 9215.83 2673.75 2904.26 1930.67 3126.97 2896.91 2321.84 2273.52 1876.17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Guanosine diphosphate 5562.61 4583.95 3613.48 4408.25 3401.87 6119.54 4809.44 6235 6725.7 3801.41 6799.86 5733.58 4778.93 5496.91 5505.02 5704.88 5858.2 6349.72 6343.52 5015.79 8070.61 5697.05 6083.12 8132.79 9652.23 7251.65 17279.63 22884.42 11791.89 20640.31 27822.98 17831.44 12026.2 16477.77 23585.83 21720.89 14661.92 12932.65 15082.55 16445.9 12552.09 26756.79 10514.21 25043.3 21729.88 12727.17 10699.49 7372.54 15768.71 17165.71 13714.09 20666.81 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CDP-Ethanolamine 207374.2 169561.7 153815.77 155313.7 136510.64 127360.26 193327.7 121628.9 149027.52 109775.95 214177.81 181728.11 131375.08 144553.34 64770.5 241753.44 176035.89 115717.38 146261.34 184251.62 185553.42 131491.61 211606.83 155139.94 304950.75 140748.98 418299.16 454441.75 569644.44 451306.09 444013.41 434827.53 362375.78 495990.66 362853.66 417286.25 394695 381704 371786.09 285369.09 310075.22 383804.88 391792.22 349771.59 367866 312864.47 256404.86 193126.12 389389.41 391506.41 555036.75 360878.16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 161.3 0 Arachidoyl carnitine C20 83426.93 30192.46 13016.5 23108.15 79612.63 29323.1 8998.95 86900.48 37162.41 164741.58 52903.27 59911.92 2580.72 13872.07 2586.89 16406.95 20574.48 21983.16 49610.66 5878.89 25041.19 11713.07 27134.77 61580.57 22576.6 14310.91 155592.73 7212.23 4514.78 6198.97 140682.83 6060.24 3240.16 9713.42 5446.73 195312.3 10700.86 74326.3 3710.1 8510.57 3530.3 5318.87 5746.94 8386.94 27742.07 3904.83 8085.71 2738.82 8074.89 30584.08 56353.71 5091.59 2387.35 3957.07 574.95 988.06 1774.49 2034.94 927.49 1929.44 2269.52 3317.81 1283.83 2006.12 2308.29 1294.3 5256.97 3497.21 1965.7 2240.09 4100.74 4207.33 3056.52 2703.44 436.87 527.84 410.68 1122.19 1065.62 386.91 1522.76 Flavin Mononucleotide 17861.47 7623.24 2798.64 8378.03 6617.77 7283.15 11606.55 3429.16 6099.88 1102.84 4996.15 7791.89 7150.03 10045.57 8505.15 15908.42 17710.38 12432.89 7306.53 10303.93 7422.8 7129.98 13106.93 14273.14 4081.01 8494.38 11065.21 10302.13 14557.11 6945.42 2227.66 16733.56 9508.56 7235.87 15404.68 25834.12 4750.7 6584.27 15673.28 7931.45 11611.7 15380.96 4552.48 17692.3 9991.57 13500.42 12723.19 8044.41 8379.23 6444.85 4908.73 8056.73 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1172.09 1024.91 Lysodihydrosphingomyelin (d18:0) 17492.92 20406.47 0 17185.57 15840.2 12799.52 1868.87 14974.07 19890.99 14417.5 19792.51 27955.1 0 5444.02 0 13989.69 20934.51 8565.08 13854.37 0 20665.67 13282.6 24224.07 16201.45 21822.55 9868.74 33139.31 0 0 0 49686.45 0 0 8210.68 0 48300.5 2237.48 24118.69 0 0 0 0 0 0 15362.11 0 0 0 0 8529.09 33394.84 0 285.93 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Deoxyuridine triphosphate 0 0 0 0 0 0 191.22 0 0 1134.36 0 267.78 0 0 0 0 0 0 1604.06 0 305.24 0 0 0 262.48 231.92 599.1 400.99 0 242.06 782.58 0 0 0 0 488.28 0 793.35 0 0 0 0 342.29 0 554.12 0 278.22 304.34 0 0 760.62 529.44 8069.53 10335.62 4974.13 11667.29 6625.08 6638.95 6443.07 187.72 10895.2 6698.92 4973.06 8260.45 8483.88 11446.08 12570.3 8971.06 5633.84 9250.35 15378.75 9104.8 6214.35 10833.2 1376.81 825.9 1687.9 1829.47 0 0 402.41 Cytidine triphosphate 115978.21 149099.5 176021.88 103626.85 110672.7 151098.33 192833.25 105851.66 122058.91 52054.16 86648.8 108760.41 139547.16 138285.89 85087.87 143818.56 132980.06 116344.73 133917.38 151550.44 175985.5 121541.09 178908.31 122933 112901.66 109100.57 59660.46 134175.58 120182.15 103139.23 122718.94 118539.12 116055.97 132811.7 111980.59 98982.09 84247.75 97685.69 98390.45 67605.04 65368.68 130529.77 94912.56 97074.31 113219.66 79697.63 68442.87 49398.14 95153.77 127025.46 104308.2 80154.77 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 206.01 0 0 0 0 0 0 0 0 0 0 0 220.3 336.02 Uridine triphosphate 156485.08 190084.56 212942.39 146483.61 142655.83 178225.89 225383 137464.11 183983.48 86118.52 112351.41 142416.06 197935.08 210244.89 126903.23 238988.88 225569.27 165027.3 200629 205805.3 217057.75 175372.12 257394.38 185409 179038.45 158601.11 79243.34 187926.92 174600.23 149298 148627.48 167288.69 168316.52 164344.11 181810.7 133953.25 112509.62 148019.61 161559.83 111974.13 110787.57 201536 146112 144184.12 190676.67 110702.51 107491.81 76727.37 143542.11 190778.23 186008.5 151018.09 1236.98 463.06 1587.34 1309.66 1217.89 1237.21 812.51 1146.85 1160.91 773.25 1088.92 1386.52 1185.7 1262.35 645.98 696.8 1145.97 1483.96 1137.71 1028.04 1009.88 1308.67 1139.78 1206.41 1126.88 1096.73 1803.06 1284.8 1430.48 Tauroursodeoxycholic acid peak 1 83457.98 39851.97 124300.12 1288192.5 3321.5 1349929.12 1642740 21413.47 36522.99 5045.45 83195.37 847207.56 24724.9 49421.11 33087.89 23524.78 6080.71 39241.8 4931.21 39620.48 6232.45 5744.94 90291.21 30584.93 8266.97 4949.49 992953.5 543373.19 40898.72 460776.75 5241.63 22342.12 22357.04 44277.77 15750.33 8554.5 65031.82 46665.98 28098.46 157882.8 21823.12 6122.91 18996.4 117408.97 5530.91 36866.07 9062.54 1200.2 95419.16 32424.74 7392.74 1454.02 9883.83 9022 20692.41 9418.21 7666.07 60009.62 5848.05 8497.08 23783.79 76866.3 8469.85 10176.07 2442.81 7430.66 57226.86 6618.14 13155.13 6603.08 8698.12 9075.1 4767.59 38830.88 13863.74 0 2132.36 1278.3 960.7 1792.43 4993.66 Adenosine triphosphate 39750088 42250660 42238100 28168146 30114074 39210084 37403900 25356272 26869938 18736592 24981942 27485030 29888150 33228422 23165782 39114460 33671900 30902426 28629798 34939704 34190648 32195320 33649572 31129066 28144226 26123718 11042344 21961772 20739678 18113282 19436754 22298130 20513610 24518242 20506918 19795714 16195911 20618344 19601744 14965491 14189631 23212120 18580790 19540442 23234154 13384343 12590241 10136287 16787940 25025538 20840088 19659506 30802.86 27315.77 20500.12 17399.81 16046.2 14107.32 10441.02 8421.67 9556.93 8573.04 8645.21 7551.96 5573.23 6498.8 6396.11 6071.13 6672.97 5489.91 5782.17 5070.63 4732.51 4965.95 3887.28 3261.04 3758.1 3325.16 0 83882.57 92332.59 Guanosine triphosphate 87109.43 123502.79 117198.24 93942.91 87580.05 113542.9 117757.37 59462.81 86313.42 38697 56136.1 70420.95 81310.61 69412 57379.91 83065.29 106559.02 79987.21 87611.34 107003.34 89830 72570.84 113075.88 88059.27 94146.59 65838.16 61145.94 151052.84 123591.29 90930.71 117581.68 126911.94 106585.07 102707.16 104683.77 104832.29 96771.02 106847.16 102438.62 80182.77 74073.02 125378.32 82855.59 103300.69 102907.91 79106.84 60116.93 43400.66 73105.52 118206.13 91329.91 83719.19 0 0 0 181.5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 787.64 280.7 ADP-ribose 610672.81 1074129.38 231323.69 727119.69 417488.97 724435.5 1222540.38 365758.34 258572.55 157799.56 784566 771494 497038.22 258852.05 184475.7 744431.44 665337.31 288931.34 436228.84 625853.81 495313.84 539934.94 815818.25 747220.5 911677.06 1085250.88 1677021 713719.94 593335.88 684507.19 846518.31 371908.84 350017.5 915795.31 548855.88 728321.5 848726 945220.81 561963.62 302836.41 164534.64 529151.06 308289.78 445191.72 288129.91 311000.09 492213.25 208870.3 689635.56 545547.5 485933.16 322423.88 265.45 406.75 216.61 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 507.34 0 0 0 0 0 0 0 1313.83 991.75 Uridine diphosphate glucose 751241.06 698791.19 589208 437028.53 433251.5 560437.31 507173.25 252125.55 292970.22 40683.55 346463.53 355435.25 414145.22 419511.88 330278.16 400921.59 375071.16 375158.72 333950.38 382191.25 385038.16 361518.5 357469.66 351213.97 234416.11 261012.02 116503.88 224566.25 211542.5 205627.44 202392.86 218210.44 182859.8 235114.56 207764.5 193976.95 171133.83 192429.45 177887.88 142913.75 127001.04 194397.25 168949.42 170574.17 185653.25 101696.51 101829.49 81837.44 132427.72 204400 162630.23 155713.56 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 114.14 289.2 543.04 ADP-glucose 23488.34 27610.27 15924.8 28833.07 18900.69 20536.76 27868.98 17688.21 19460.06 7099.47 23572.16 18145.56 22705.68 24499.79 12191.29 32693.48 30151.29 24196.14 21985.63 39187.5 31316.26 29292.46 26927.47 25831.54 33843.31 20374.65 21626.59 32978.13 30399.93 35040.38 31347.47 31162.39 33329.36 26753.78 29311.26 26818.36 28576.3 21033.6 25449.73 22306.34 18771.12 32263.33 28064.53 25408.42 31251.1 20538.6 16870.46 12711.3 30652.77 29708.54 30244.23 31141.88 0 0 0 0 0 0 0 0 0 0 0 201.47 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 GDP-Mannose 53836.79 49953.6 51752.43 52662.62 47230.11 52978.86 66898.88 41275.02 46309.94 28098.34 53087.76 49501.35 40793.51 61757.18 26115.73 84405.6 55099.72 56912.15 52523.54 69535.48 64495.21 57447.5 67853.86 51342.45 87465.91 48261.88 55982.84 55813.69 72307.27 69029.71 89382.22 58085.65 40893.37 78526.13 64686.78 72266.91 76149.53 58111.67 56292.95 40677.15 38458.47 61210.09 49654.96 53711.83 67565.38 36715.67 31887.23 24032.85 54343.88 72492.59 81351.88 68849.27 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Uridine diphosphate-N-acetylglucosamine 347816.59 492156.91 441899.41 482093.62 349252.84 440440.03 581453.81 378482.84 617236.81 247272.02 427450.75 430878.5 460071.91 555064.75 202763.25 763792.69 631624.81 377533.88 530304.69 600997.19 658886.31 402482.66 801212.69 441389.59 951304.44 395046.25 425047.53 691625 609992.75 622109.06 554772.75 492804.41 544237.19 537076.94 713021.06 507789.34 447008.22 521931.09 476085.5 447243.72 379206.75 621095.31 662680 424965.28 553640.75 468246.16 465470.53 325662.62 885973.31 499778.88 885082 501543.34 0 0 0 0 0 0 0 0 0 279.93 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Oxidized glutathione 287914.41 453029.66 293598.59 324985.16 237942.39 308647.91 409092.09 238901.3 194449.39 74213.5 217828.77 216604.33 296448.5 523526.25 125997.9 1036500 679448.69 457683 403676.62 602987 858068.19 455164.41 699465.19 535560.25 1236252.12 556886.19 839860.56 1227709.5 1248778.12 1110110.5 1080089 957054.81 913611.44 1312293 988339.56 1135165.62 1024205.56 1197533.25 1119847.25 874096.19 778576.06 1328652.12 1093220.25 1180638.25 1258559.12 764094.5 682832.31 356774.41 1358298.38 911209.5 1756159.88 1220852.62 1375.2 1274.68 686.56 625.47 2101.04 1179.02 2185.11 295.24 1420.72 2257.6 1172.28 1472.12 1242.34 1610.33 2372.05 2816.26 2932.84 3118.71 2980.32 3712.04 3620.67 2431.22 288.49 348.9 329.2 221.12 226.04 3954.71 2912.26 CMP-Sialic Acid 199645.2 245972.81 233895.58 243898.3 176661.42 229948.8 308082.34 220160.19 286765.62 125039.96 226795.95 254496.7 236484.3 263689.72 110311.5 388271.59 271758.66 210992.92 245412.5 342361.09 307054.16 220664.92 328241.44 259661.58 362959.59 200191.92 138679.72 207042.89 194951.36 205675.3 201747.92 200435.33 165112.61 182886.06 201773.88 193699.25 136980.95 169344.61 152593.73 139373.3 117152.45 172495.38 156698.77 163912.33 175779.8 148434.12 140537.05 112185.52 200538.42 185620.95 210229.23 171731.5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 185.87 0 0 0 NAD 15405645 14862681 13480892 14484812 11008060 13498884 14796589 11558425 12840056 5864782.5 11925112 12183288 13329843 15253487 7557217.5 21184190 14716635 13739201 13239417 16264531 15436528 15281344 14352393 12711472 16192621 10999385 8254583.5 11890188 11429880 10202132 11602249 11292292 10054760 10893047 9618999 10775698 10168593 8755303 10108260 7939197.5 8725453 9967520 9169065 10651491 9914845 7222896 6362534.5 5803976.5 7749190.5 11223555 10922679 9852011 3776.25 3382.62 2381.86 2105.16 1520.72 1765.09 1294.86 1100.7 866.24 706.07 1074.73 694.14 585.08 533.78 269.74 652.44 293.69 332.41 540.47 245.38 0 0 219.28 197.12 221.5 0 0 17346.52 14564.23 NADH 72196.7 59593.05 170488.39 239053.88 194298.42 136759.16 161488.42 154995.56 114880.38 40782.78 31032.77 63188.55 114069.04 154651.45 29127.8 427986.66 156095.06 136435.48 129064.94 180121.86 380583.28 163218.69 180384.08 50118.21 408293.28 188967.77 127874.84 314525.41 433941.47 258367.08 359595.25 220780.2 242223.67 351479.59 196813.56 181211.45 140448.55 358874.09 137877.62 267861.16 152507.58 349086.22 224789.94 147951.3 270889.72 172547.72 183905 38566.64 196175.67 138050.19 312746.75 190018.38 0 0 0 0 0 0 0 0 0 0 0 0 201.05 0 0 193.55 0 0 0 0 0 0 0 0 0 0 0 219.63 187.27 C16 Sphingomyelin (d18:1/16:0) 4790343.5 5732350.5 5638035.5 4680658 5510599.5 4847738.5 4549830 4467602.5 5267512.5 4059879.25 3798394.75 4497634.5 4768499 4937063.5 3510298.75 3409464.25 4787184.5 4147384.75 4721105.5 4517590 4591768.5 4428608.5 5073549.5 4294498 6447448 2928765.25 7955334 8548425 10264594 9138080 9717800 7223766 10703232 9949592 10874940 10380552 8556153 8263960 7049312 5501302.5 7631472.5 8291231.5 9131846 6675125.5 7494879.5 8515915 10052370 7966412.5 11759673 9396780 12326764 10029255 902128.56 985328.19 618840 1407162 1678978 1090076.12 769096.44 6071.26 1676528.62 923254.19 841114.31 1375902.88 1034275.5 858940.81 1507156.62 1950588.88 2218507.25 1063947.62 1837722.38 1230159.12 1600100.5 1478693.62 134257.94 117694.97 255088.86 121630.48 857.21 20195.21 6373.27 C17 Sphingomyelin (d18:1/17:0) 193068.31 154205.33 149293.75 138914.8 179692.77 151320.05 132221.48 153542.23 118979.95 129084.34 124902.8 119499.23 139025.89 137019.55 107874.96 82261.77 117999.04 129060.48 133066.8 119785.91 122066.59 122681.51 112731.06 130278.35 109129.04 77634.85 124429.13 96330.98 130267.79 115309.66 123889.59 98346.38 138784.19 147887.81 115107.63 128080.69 111890.57 82921.68 98624.6 68124.38 93098.27 102393.25 92600.88 89114.88 95296.16 101478 125236.12 99613.54 117981.34 124209.48 132961.58 126612.41 10504.44 7865.01 5533.99 14357.99 15994.81 11463.91 7994.65 0 7880.37 7937.68 7613.5 12792.92 10533.46 7218.98 8652.78 9626.18 12339.81 11387.92 11582.35 12522.37 14507.46 18308.95 734.48 621.67 2462.74 780.43 0 263.72 0 C18 Sphingomyelin (d18:1/18:0) 6027266.5 4670816 4463052.5 3845763 5274726 4136722 3880428 4335775.5 3485052.75 3892452 4273688.5 3692207.25 4364785.5 3836737.25 3094114.25 2494737.75 3539098 3823220.25 3117234 3042706.25 3209015 3339337 2937984 4075514 3037779 1898041.12 1922047.12 1387447.88 1800600.62 1580079.5 2404155.75 1488506.5 2242051.75 1957624.38 1863633.62 2945605.25 1886310.5 1270302 1560409.62 854473.56 1419725.5 1674283.62 1503667.62 1375764.38 1399705.5 1646438.12 1947006.38 1493274.88 1797004 1943779.38 2015601.62 1800804.5 115546.79 127790.87 77002.05 165545.33 250554.36 133014.89 98010.77 6049.53 196941.81 85480.91 79365.52 205400.12 127638 83933.21 231434.81 203788.73 303023.22 96677.09 195868.12 176000.38 202274.94 176610.23 12314.39 14148.82 19872.49 12022.98 0 6108.22 5967.66 NADP 108794.35 142356.58 133817.02 106464.62 94257.95 121696.03 147252.92 95432.66 109646.96 66762.5 101578.09 126199.77 140143.61 145924.42 83266.28 180443.81 139235.73 149713.12 148700.08 161319.95 168171.39 168507.3 150683.3 135383.39 161060.86 121447.93 162651.39 215545.05 195788.31 177013.36 226349.5 180861.2 190601.7 216425.55 218444.58 200879.23 191108.27 216823.2 193687.98 137142.28 134776.36 218541.98 168223.27 189147.06 271439.75 125918.82 115762 82800.12 148723.98 243567.8 216869.67 228724.02 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 310.67 528.07 Nicotinic acid adenine dinucleotide phosphate 0 0 0 16149.67 211.82 0 11730.12 48640.27 48376.49 33960.8 55657.71 42857.28 44017.89 37063.39 21117.27 51476.25 60187.11 61422.66 47292.28 57229.02 68622.93 58017.41 28333.89 59210.19 51420.42 50496.39 20815.98 50158.6 34321.79 20123.85 27462.95 9152.91 15348.81 19983.03 16685.97 21933.44 14405.07 19386.83 12566.07 7921.45 3464.06 20356.88 10448.16 17067.48 20393.79 8142.96 3019.98 4914.49 3571.23 17991.73 17831.98 13649.98 0 0 0 0 0 0 0 0 0 0 0 0 0 0 892.9 0 0 0 683.84 470.35 423.73 542.91 0 0 0 0 0 0 0 Hyaluronan 245928.8 275044.78 310376.72 316340.75 297802.16 282073.25 310454 187676.8 344365.84 115461.44 121338.66 87627.52 93674.8 113439.79 70092.91 244067.7 165331.73 85189.82 153158.45 78964 91039.79 77614.55 118508.59 89814.07 333046.75 207308.98 209597.23 95544.56 124566.41 237617.77 199923.8 246955.75 231731.33 156894.06 183872.75 109281.8 118055.15 108297.02 120064.71 98674.49 218818.05 200316.56 156300.34 161299.08 249619.62 123847.44 161611.72 109373.73 455974.84 106160 104569.07 109921.84 1017235.25 1192020.5 763544.69 1117334.62 807950.81 781708.44 909140.94 1160585.38 1554629.62 786439.5 654304.19 1396316.38 714078.5 1308049.88 889816 902364 848038.19 1075878.75 1252481.12 1097900.38 1418879.62 1287636.88 257847.23 319705.38 337438.16 324790.84 299176.56 61813.39 68051.84 FAD 297974.41 258897.8 232825.58 229638.64 199556.8 213056.89 174872.62 152720.44 160109.11 118824.81 170714.89 187529.33 209825.83 246143.12 66679.2 300040.16 169596.55 148888.7 188311.06 211468.12 182231.5 170261.52 162361.8 136017.14 217868.61 109679.44 436838.38 611155.75 587570.25 517539.12 454380.03 417513.12 507324.97 532424.06 475431 517376.5 422471.75 400937.41 310838.25 265490.03 335233.84 443012.47 385270.75 386119.34 404206.59 269847.72 212045.08 154546.55 290752.69 268922.47 340652.72 254705.48 0 0 0 0 272.64 0 221.85 0 268.47 0 0 0 0 0 0 0 201.26 0 0 0 267.42 480.13 0 0 0 0 0 0 0 C22 Sphingomyelin (d18:1/22:0) 191156.67 164548.52 168310.42 211898.67 109620.3 190064.88 184027.25 108935.31 127727.52 78655.49 156945.88 131756 207060.77 183296.33 158831.67 132580.91 153177.27 146152.39 142615.06 125178.12 116330.77 136907.03 136329.52 164509.55 135775.7 40327.81 267116.72 288443.41 263971.53 229204.44 280295.09 273825.25 224733.45 344530.31 309238.34 362910.84 300185.91 136289.14 322437 116454.91 202377.8 247463.05 207704.67 245124.75 287034.09 171586.25 177545 192716.08 198825.88 337352.91 292358.53 379619.78 198842.42 237405.8 94717.71 180495.27 277022.84 130780.93 99107.4 1512.83 197904.31 118360.24 93012.98 177829.98 152502.81 113328.26 164330.27 261306.42 229904.45 168652.64 298416.5 228917.08 265136.22 250579.02 10216.75 9996.88 28491.28 10581.92 253.61 2661.32 2912.3 Acetyl-CoA 98164.29 117767.97 209867.2 155867.88 77329.73 198836.56 197601.81 80849.84 146195.38 45267.58 123139.69 128119.88 188591.33 210445.8 101696.65 235954.75 213770.36 234356.42 187706.55 267522.16 224483.38 257382 214885.86 155823.27 310752 174924.58 298651.44 624239.06 449255.91 321187.78 441793.25 244782.61 180275.56 390285.88 362955.34 370210.84 508361.25 457185.75 287811.59 159868.44 122883.16 286943.72 189891.75 260646.67 276319.91 147525.3 173769.27 116287.38 338203.91 351183.28 474408 292388.09 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 202.42 3-Hydroxybutyryl-CoA 0 0 0 0 0 0 280.26 0 0 2886.39 1086.67 0 0 0 0 381.03 0 0 705.82 0 0 302.31 361.24 230.63 288.54 0 939.29 686.37 302.08 363.39 0 1384.87 468.8 0 2258.87 4911.54 2649.71 0 0 1428.74 357.64 0 0 1242.09 1207.1 0 0 0 469 236.32 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 310.72 0 0 0 0 317.39 0 0 0 0 0 0 0 0 0 0 Succinyl-CoA 19841.03 29993.73 37131.97 10228.1 20783.62 32745.99 33942.92 30245.94 43216 25184.4 17164.12 10974.34 42708.12 62873.2 45049.87 45635.54 36162.63 38994.95 39837.34 34201.66 38246.41 38961.46 30422.16 20430.02 43745.74 25482.02 4304.5 18854.05 17164.66 7965.24 6237.74 48840.82 29579.58 21705.03 21075.41 3597.33 11670.18 9652.73 30173.3 23727.05 30978.12 29494.92 40208.3 25126.23 31300.06 32074.16 18002.53 40631.62 17528.97 22579.28 7911.53 27378.21 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3-Hydroxy-3-methylglutaryl-CoA 0 7809.18 0 0 0 326.87 1595.65 0 0 0 0 0 2089.21 648.64 441.15 949.83 1848.24 0 1274.25 527.57 0 1488.27 0 785.08 2437.4 0 0 0 0 0 636.78 0 0 0 0 0 0 0 0 417.76 1036.49 0 0 0 0 0 0 0 201.82 0 0 0 0 0 202.37 0 0 0 273.68 282.69 0 0 0 0 0 206.08 210.87 0 0 0 0 0 0 0 0 0 0 0 0 0 0 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Formula RT HMDB PubChem ChEBI KEGG METLIN Inosine C10H12N4O5 8.43 HMDB0000195 6021 17596 C00294 84 Cyclic AMP C10H12N5O6P 8.89 HMDB0000058 6076 17489 C00575 5120 Phenylbutyric acid C10H12O2 2.68 HMDB00329 7012 1138996 5318 3-Methoxybenzenepropanoic acid C10H12O3 2.87 HMDB0011751 66336 NA NA Homoveratric acid C10H12O4 3.06 HMDB0000434 7139 NA 5423 Inosinic acid C10H13N4O8P 13.68 HMDB0000175 8582 17202 C00130 5196 Adenosine C10H13N5O4 8.5 HMDB0000050 60961 16335 C00212 86 Guanosine C10H13N5O5 9.58 HMDB0000133 6802 16750 C00387 87 Thymidine C10H14N2O5 5.27 HMDB0000273 5789 17748 C00214 3375 IDP C10H14N4O11P2 13.82 HMDB0003335 644173 17808 C00104 6892 Adenosine monophosphate C10H14N5O7P 13.5 HMDB0000045 6083 16027 C00020 5111 Guanosine monophosphate C10H14N5O8P 13.79 HMDB0001397 6804 17345 C00144 6216 ADP C10H15N5O10P2 13.86 HMDB0001341 6022 16761 C00008 6175 Guanosine diphosphate C10H15N5O11P2 13.99 HMDB0001201 8977 17552 C00035 6077 Biotin C10H16N2O3S 8.58 HMDB0000030 171548 15956 C00120 243 Anserine C10H16N4O3 13.89 HMDB0000194 112072 18323 C01262 5209 Adenosine triphosphate C10H16N5O13P3 14.01 HMDB0000538 5957 15422 C00002 5523 Guanosine triphosphate C10H16N5O14P3 14.34 HMDB0001273 6830 15996 C00044 6128 Glutathione C10H17N3O6S 13.05 HMDB0000125 124886 16856 C00051 44 Propenoyl carnitine C3:1 C10H17NO4 7.31 NA NA NA Argininosuccinic acid C10H18N4O6 NA HMDB0000052 16950 15682 C03406 5115 Propionyl carnitine C3 C10H19NO4 10.05 HMDB0000824 188824 53210 C03017 NA Indole-3-propionic acid C11H11NO2 2.98 HMDB0002302 3744 43580 6602 L-Tryptophan C11H12N2O2 8.6 HMDB0000929 6305 16828 C00078 5879 Tryptophanamide C11H13N3O 4.15 HMDB0013318 89366 791437 C00977 NA Phenylpropionylglycine C11H13NO3 2.92 HMDB0000860 152323 266653 5823 N-Acetyl-L-phenylalanine C11H13NO3 5.17 HMDB0000512 74839 16259 C03519 5498 Nicotinamide riboside C11H14N2O5 NA HMDB0000855 439924 15927 C03150 5818 5-Phenylvaleric acid C11H14O2 2.79 HMDB0002043 16757 40131 6456 Nicotinamide ribotide C11H15N2O8P NA HMDB0000229 14180 16171 C00455 5238 5'-Methylthioadenosine C11H15N5O3S 4.72 HMDB0001173 439176 17509 C00170 3425 1-Methyladenosine C11H15N5O4 6.85 HMDB0003331 27476 16020 C02494 6888 N-acetylaspartylglutamic acid (NAAG) C11H16N2O8 13.2 HMDB0001067 188803 73688 C12270 NA Ophthalmic acid C11H19N3O6 13.23 HMDB0005765 7018721 84058 C21016 NA N-Acetylneuraminic acid C11H19NO9 13.18 HMDB0000230 445063 45744 C19910 3321 Saccharopine C11H20N2O6 14.22 HMDB00279 160556 16927 C00449 383 CDP-Ethanolamine C11H20N4O11P2 13.8 HMDB0001564 123727 16732 C00570 3538 Butyryl carnitine C4 C11H21NO4 8.91 NA NA NA Lumichrome C12H10N4O2 4.13 METPA0216 NA 17781 C01727 NA Thiamine C12H16N4OS NA HMDB0000235 1130 18385 C00378 5242 Thiamine pyrophosphate C12H18N4O7P2S NA HMDB0001372 1132 9532 C00068 2832 Pirbuterol C12H20N2O3 NA HMDB0015407 4845 724172 C07807 NA Carnitine C5:1 C12H21NO4 8.62 NA NA NA Glutarylcarnitine C12H21NO6 13.23 HMDB0013130 71317118 82952 NA NA Isovaleryl carnitine C5 C12H23NO4 7.79 NA NA NA Trehalose 6-phosphate C12H23O14P 13.96 HMDB0001124 122336 18283 C00689 6019 N-acetyltryptophan C13H14N2O3 5.9 HMDB0013713 700653 74640 NA NA Cysteineglutathione disulfide C13H22N4O8S2 13.8 HMDB0000656 53477713 NA 5628 Hexanoyl carnitine C6 C13H25NO4 7.55 NA NA NA S-Adenosylhomocysteine C14H20N6O5S 13.37 HMDB0000939 439155 16680 C00021 296 S-Adenosylmethionine C15H22N6O5S 15.1 HMDB0001185 16757548 15414 C00019 6064 ADP-ribose C15H23N5O14P2 13.31 HMDB0001178 33576 16960 C00301 6059 Uridine diphosphate glucose C15H24N2O17P2 13.51 HMDB0000286 53477679 NA C00029 5278 Octenoyl carnitine C8:1 C15H27NO4 7.4 NA NA NA Octanoyl carnitine C8 C15H29NO4 7.33 NA NA NA ADP-glucose C16H25N5O15P2 13.38 HMDB0006557 16500 15751 C00498 NA GDP-Mannose C16H25N5O16P2 14.11 HMDB0001163 18396 15820 C00096 6045 C16:1(Palmitoleic acid) C16H30O2 2.5 NA NA NA Riboflavin C17H20N4O6 7.8 HMDB0000244 493570 17015 C00255 5249 Flavin Mononucleotide C17H21N4O9P 13.17 HMDB0001520 643976 17621 C00061 6295 Uridine diphosphate-N-acetylglucosamine C17H27N3O17P2 NA HMDB0000290 445675 16264 C00043 5281 Decatrienoyl carnitine C10:3 C17H27NO4 7.34 NA NA NA Decadienoyl carnitine C10:2 C17H29NO4 7 NA NA NA FA_C17:2 C17H30O2 2.51 NA NA NA Decenoyl carnitine C10:1 C17H31NO4 7.27 NA NA NA Decanoyl carnitine C10 C17H33NO4 7.26 NA NA NA C18:0(Stearic acid) C18H36O2 2.44 HMDB0000827 5281 28842 C01530 189 sphingosine (d18:1) C18H37NO2 4.29 NA NA NA sphingosine (d18:1-P) C18H38NO5P 7.3 NA NA NA Androstenedione C19H26O2 NA HMDB0000053 6128 16422 C00280 2795 FA_C19:3 C19H32O2 2.43 NA NA NA FA_C19:2 C19H34O2 2.44 NA NA NA Dodecanoylcarnitine C19H37NO4 6.97 HMDB0002250 168381 77086 NA 6573 Oxidized glutathione C20H32N6O12S2 13.76 HMDB0003337 975 17858 C00127 6893 FA_C20:3 C20H34O2 2.42 NA NA NA Oleoyl ethanolamide C20H39NO2 2.39 NA NA NA sphingosine (d20:1) C20H41NO2 4.2 NA NA NA Nicotinic acid adenine dinucleotide phosphate C21H27N6O18P3 13.78 HMDB0001179 583440 18304 C00857 4234 NAD C21H27N7O14P2 13.68 HMDB0000902 5893 15846 C00003 5858 NADP C21H28N7O17P3 13.82 HMDB0000217 5886 18009 C00006 5227 NADH C21H29N7O14P2 12.86 HMDB0001487 928 16908 C00004 3687 11a-Hydroxyprogesterone C21H30O2 NA HMDB0000920 440105 16076 C03747 5873 Cortisol C21H30O5 2.93 HMDB0000063 657311 NA C00735 5124 Tetrahydrocortisone C21H32O5 NA HMDB0000903 12444617 NA 1915 Tetradecadienoyl carnitine C14:2 C21H37NO4 7.21 NA NA NA Tetradecenoyl carnitine C14:1 C21H39NO4 7.19 NA NA NA Myristoyl carnitine C14 C21H41NO4 7.19 NA NA NA C22:6(Docosahexaenoic acid) C22H32O2 2.37 NA NA NA Pentadecanoyl carnitine C15:0 C22H43NO4 6.19 NA NA NA Acetyl-CoA C23H38N7O17P3S 13.14 HMDB0001206 444493 15351 C00024 6082 Hexadecadienoyl carnitine C16:2 C23H41NO4 7.14 NA NA NA Hexadecenoyl carnitine C16:1 C23H43NO4 7.15 NA NA NA L-Palmitoylcarnitine C23H45NO4 6.38 HMDB0000222 11953816 17490 C02990 5231 Succinyl-CoA C25H40N7O19P3S NA HMDB0001022 439161 15380 C00091 5951 3-Hydroxybutyryl-CoA C25H42N7O18P3S NA HMDB0001166 440045 15452 C03561 456 Linoleoyl carnitine C18:2 C25H45NO4 6.83 NA NA NA Oleyl carnitine C18:1 C25H47NO4 6.56 NA NA NA Stearoyl carnitine C18 C25H49NO4 6.47 NA NA NA FA_C25:0 C25H50O2 2.34 NA NA NA FA_C26:4 C26H44O2 2.33 NA NA NA FA_C26:2 C26H48O2 2.32 NA NA NA C26:0(Cerotic acid) C26H52O2 2.33 NA NA NA FAD C27H33N9O15P2 NA HMDB0001248 643975 16238 C00016 6106 3-Hydroxy-3-methylglutaryl-CoA C27H44N7O20P3S NA HMDB0001375 439218 15467 C00356 6201 Arachidoyl carnitine C20 C27H53NO4 5.18 NA NA NA Hyaluronan C28H44N2O23 NA HMDB0010366 24759 NA NA Acetylphosphate C2H5O5P 13.23 HMDB0001494 186 15350 C00227 6278 Taurine C2H7NO3S 10.78 HMDB0000251 1123 15891 C00245 31 O-Phosphoethanolamine C2H8NO4P 14.15 HMDB0000224 1015 17553 C00346 5233 Phosphoenolpyruvic acid C3H5O6P 13.86 HMDB0000263 1005 44897 C00074 5264 Cysteine-S-sulfate C3H7NO5S2 9.8 HMDB0000731 115015 27891 C05824 NA GAP/DHAP C3H7O6P 13.51 HMDB0001473 668 16108 C00111 6262 2-Phosphoglyceric acid C3H7O7P NA HMDB0000362 59 24344 5351 3-Phosphoglyceric acid C3H7O7P NA HMDB0000807 724 17050 C00597 150 Glycerol 3-phosphate C3H9O6P 13.56 HMDB0000126 439162 15978 C00093 5161 Phosphocreatine C4H10N3O5P 13.55 HMDB0001511 587 17287 C02305 6288 Allantoin C4H6N4O3 7.82 HMDB0000462 204 15676 C01551 89 L-Aspartic acid C4H7NO4 13.46 HMDB0000191 5960 17053 C00049 5206 L-Asparagine C4H8N2O3 13.46 HMDB0000168 6267 17196 C00152 14 Allantoic acid C4H8N4O4 NA HMDB0001209 203 30837 C00499 343 Threonic acid C4H8O5 10 HMDB0000943 151152 49059 C01620 5891 Creatine C4H9N3O2 12.98 HMDB0000064 586 16919 C00300 7 L-Threonine C4H9NO3 12.97 HMDB0000167 6288 16857 C00188 32 L-Glutamine C5H10N2O3 13.3 HMDB0000641 5961 18050 C00064 5614 4-Guanidinobutanoic acid C5H11N3O2 13.17 HMDB0003464 500 15728 C01035 6938 L-Methionine C5H11NO2S 9.98 HMDB0000696 6137 16643 C00073 5664 Methionine sulfoxide C5H11NO3S 12.98 HMDB0002005 847 49033 6428 Deoxyribose 5-phosphate C5H11O7P 13.47 HMDB0001031 45934311 16132 C00673 5956 D-Ribose 5-phosphate C5H11O8P 13.67 HMDB0001548 439167 52742 C00117 6315 Ornithine C5H12N2O2 16.6 HMDB0000214 6262 15729 C00077 27 Phosphorylcholine C5H14NO4P 14.3 HMDB0001565 1014 18132 C00588 6326 Hypoxanthine C5H4N4O 7.5 HMDB0000157 790 17368 C00262 83 Adenine C5H5N5 7.28 HMDB0000034 190 16708 C00147 85 Guanine C5H5N5O 8.51 HMDB0000132 764 16235 C00242 315 Thymine C5H6N2O2 4.45 HMDB0000262 1135 17821 C00178 290 Citraconic acid C5H6O4 13.51 HMDB0000634 643798 17626 C02226 5607 5-Methylcytosine C5H7N3O 7.72 HMDB0002894 65040 27551 C02376 3247 Dihydrothymine C5H8N2O2 4.13 HMDB0000079 93556 27468 C00906 5135 Guanidinosuccinic acid C5H9N3O4 NA HMDB0003157 439918 17072 C03139 10 L-Glutamic acid C5H9NO4 13.21 HMDB0000148 33032 16015 C00025 5174 Ketoleucine C6H10O3 2.51 HMDB0000695 70 48430 C00233 5663 Adipic acid C6H10O4 12.23 HMDB0000448 196 30832 C06104 115 Methylglutaric acid C6H10O4 12.59 HMDB0000752 12284 68566 5720 3-Hydroxymethylglutaric acid C6H10O5 12.19 HMDB0000355 1662 16831 C03761 5344 2-Hydroxyadipic acid C6H10O5 12.83 HMDB0000321 193530 17023 C02360 5310 Gluconolactone C6H10O9 7.81 HMDB0000150 7027 16217 C00198 353 Pipecolic acid C6H11NO2 11.72 HMDB0000070 849 17964 C00408 50 Aminoadipic acid C6H11NO4 13.35 HMDB0000510 469 37024 C00956 5496 L-Cystine C6H12N2O4S2 13.8 HMDB0000192 67678 16283 C00491 5207 Citrulline C6H13N3O3 13.56 HMDB0000904 9750 16349 C00327 16 L-Leucine C6H13NO2 9.18 HMDB0000687 6106 15603 C00123 24 L-Isoleucine C6H13NO2 9.73 HMDB0000172 6306 17191 C00407 5193 Glucosamine C6H13NO5 NA HMDB0001514 439213 5417 C00329 266 6-Phosphogluconic acid C6H13O10P NA HMDB0001316 91493 48928 C00345 367 Hexose phosphate C6H13O9P 13.86 HMDB0001586 439165 16077 C00103 6331 L-Lysine C6H14N2O2 17.53 HMDB0000182 5962 18019 C00047 5200 L-Arginine C6H14N4O2 17.87 HMDB0000517 6322 16467 C00062 5502 Glucosamine 6-phosphate C6H14NO8P 13.85 HMDB0001254 439217 15873 C00352 6111 Fructose 1,6-bisphosphate C6H14O12P2 13.9 HMDB0001058 172313 16905 C00354 147 Mannitol 1-phosphate C6H15O9P 13.66 HMDB0001530 130418 16298 C00644 6302 Niacinamide C6H6N2O 4.26 HMDB0001406 936 17154 C00153 1497 Urocanic acid C6H6N2O2 8.58 HMDB0000301 736715 30817 C00785 298 Aconitate C6H6O6 13.67 HMDB0000072 643757 32805 C00417 5130 1,3-Dimethyluracil C6H8N2O2 3.09 HMDB0002144 70122 108884 NA Methylimidazoleacetic acid C6H8N2O2 9.05 HMDB0002820 75810 NA C05828 3774 3-Methylglutaconic acid C6H8O4 10.51 HMDB0000522 1551553 37245 5507 Citric acid C6H8O7 13.98 HMDB0000094 311 30769 C00158 124 L-Histidine C6H9N3O2 14.24 HMDB0000177 6274 15971 C00135 21 N-Acetyl-L-aspartic acid C6H9NO5 NA HMDB0000812 65065 21547 C01042 5776 Methylhistidine C7H11N3O2 14.76 HMDB0000001 92105 50599 C01152 3741 N-Acetylornithine C7H14N2O3 13.84 HMDB0003357 439232 16543 C00437 NA L-Cystathionine C7H14N2O4S 14.41 HMDB0000099 439258 17482 C02291 39 Homocitrulline C7H15N3O3 13.43 HMDB0000679 65072 17443 C02427 46 Acetylcholine C7H15NO2 9.71 HMDB0000895 187 15355 C01996 57 4-Trimethylammoniobutanoic acid C7H15NO2 13.4 HMDB0001161 134 1941 C01181 6043 L-Carnitine C7H15NO3 13.12 HMDB0000062 2724480 11060 C00318 52 Homo-L-arginine C7H16N4O2 17.98 HMDB0000670 9085 27747 C01924 5640 Trigonelline C7H7NO2 10.87 HMDB0000875 5570 18123 C01004 273 3-Amino-4-hydroxybenzoate C7H7NO3 4.16 NA 14262 29476 C12115 NA 3-Hydroxyanthranilic acid C7H7NO3 5.37 HMDB0001476 86 15793 C00632 3275 3-Amino-5-hydroxybenzoate C7H7NO3 6.71 NA 14254 29507 C12107 NA 3-Hydroxybenzyl alcohol C7H8O2 2.91 HMDB0059712 102 17069 C03351 NA Pyridoxal 5'-phosphate C8H10NO6P 13.79 HMDB0001491 1051 18405 C00018 6275 Pyridoxamine 5'-phosphate C8H13N2O5P 14.03 HMDB0001555 1053 18335 C00647 NA Suberic acid C8H14O4 2.92 HMDB0000893 10457 9300 C08278 4243 Leucyl-Glycine C8H16N2O3 8.54 HMDB0028929 NA NA NA N-Alpha-acetyllysine C8H16N2O3 13.65 HMDB0000446 192590 35704 C12989 5435 N6-Acetyl-L-lysine C8H16N2O3 NA HMDB0000206 92832 17752 C02727 5216 N-a-Acetyl-L-arginine C8H16N4O3 13.26 HMDB0004620 67427 40521 NA DL-2-Aminooctanoic acid C8H17NO2 13 HMDB0000991 69522 75145 5923 Glycerophosphocholine C8H20NO6P 13.31 HMDB0000086 71920 16870 C00670 370 3-Cresotinic acid C8H8O3 2.26 HMDB0002390 6738 20141 C14088 6661 2-Phenylglycine C8H9NO2 NA HMDB0002210 3866 55484 6549 Pyridoxal C8H9NO3 6.39 HMDB0001545 1050 17310 C00250 6312 2-Phenylpropionate C9H10O2 2.8 HMDB0011743 10296 48526 NA 3-(2-Hydroxyphenyl)propanoic acid C9H10O3 2.52 HMDB0033752 873 16104 C01198 NA Phenyllactic acid C9H10O3 2.8 HMDB0000779 3848 25998 C01479 5745 Methyl vanillate C9H10O4 2.64 HMDB0240266 19844 46477 NA NA L-Phenylalanine C9H11NO2 8.66 HMDB0000159 6140 17295 C00079 28 L-Tyrosine C9H11NO3 10.73 HMDB0000158 6057 17895 C00082 34 Deoxyuridine C9H12N2O5 6.14 HMDB0000012 13712 16450 C00526 5086 Uridine C9H12N2O6 7.43 HMDB0000296 6029 16704 C00299 90 Uridine 5'-monophosphate C9H13N2O9P 13.59 HMDB0000288 6030 16695 C00105 NA Deoxycytidine C9H13N3O4 8.1 HMDB0000014 13711 15698 C00881 3367 Cytidine C9H13N3O5 9.11 HMDB0000089 6175 17562 C00475 3376 Uridine 5'-diphosphate C9H14N2O12P2 13.88 HMDB0000295 6031 17659 C00015 NA Cytidine monophosphate C9H14N3O8P 13.76 HMDB0000095 6131 17361 C00055 5143 Carnosine C9H14N4O3 14 HMDB0000033 439224 15727 C00386 38 Deoxyuridine triphosphate C9H15N2O14P3 13.94 HMDB0001191 65070 17625 C00460 6069 Uridine triphosphate C9H15N2O15P3 14.05 HMDB0000285 6133 15713 C00075 5277 CDP C9H15N3O11P2 13.98 HMDB0001546 6132 17239 C00112 6313 Cytidine triphosphate C9H16N3O14P3 14.23 HMDB0000082 6176 17677 C00063 5136 L-Acetylcarnitine C9H17NO4 11.38 HMDB0000201 1 NA C02571 5213 Pantothenic acid C9H17NO5 8.29 HMDB0000210 988 7916 C00864 241 N6,N6,N6-Trimethyl-L-lysine C9H20N2O2 17.1 HMDB0001325 440120 17311 C03793 6161 Hippuric acid C9H9NO3 NA HMDB0000714 464 18089 C01586 1301 C18 Sphingomyelin (d18:1/18:0) C41H83N2O6P 6 NA NA NA C22 Sphingomyelin (d18:1/22:0) C45H91N2O6P 5.7 NA NA NA Lysodihydrosphingomyelin (d18:0) C23H51N2O5P 7.35 NA NA NA C17 Sphingomyelin (d18:1/17:0) C40H81N2O6P 6.34 NA NA NA L-Fucitol C6H14O5 8.7 HMDB0041500 3429 NA NA N-Glycolylneuraminic acid C11H19NO10 13.49 HMDB00833 123802 62084 C03410 3580 C16 Sphingomyelin (d18:1/16:0) C39H79N2O6P 6.45 NA NA NA CMP-Sialic Acid C20H31N4O16P 13.84 HMDB0001176 448209 16556 C00128 NA Fucose-1-phosphate C6H13O8P 14.01 HMDB0001265 65369 12387 C02985 6120 Mevalonic acid C6H12O4 7.91 HMDB0000227 449 25351 C00418 127 N-acetyl taurine C4H9NO4S 4.21 HMDB0240253 NA 84415 NA N-arachidonoyl taurine C22H37NO4S 2.13 NA NA NA N-oleoyl taurine C20H39NO4S 2.19 HMDB0242113 4941625 NA NA Taurocyamine (Guanidinoethyl sulfonate) C3H9N3O3S 11.1 HMDB0003584 68340 17228 C01959 6962 Tauroursodeoxycholic acid peak 1 C26H45NO6S 2.72 HMDB0000874 12443252 NA NA N-palmitoyl taurine C18H37NO4S 2.1 HMDB0240594 14504290 132477 NA Palmitoyl glycine (C16:0) C18H35NO3 2.48 NA NA NA METABOLITES_END #END