#METABOLOMICS WORKBENCH cmann_20250319_012004 DATATRACK_ID:5744 STUDY_ID:ST003812 ANALYSIS_ID:AN006268 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 Orbitrap Exploris 240 MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE 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_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:- Glyoxylic acid 103282.43 133407.89 89015.81 112067.16 148455.19 123333.02 114812.06 87444.31 107386.97 102857.07 120250.52 146572.95 132582.8 129943.38 115713.41 111020.09 136612.62 148861.75 125274.75 138225 120677.16 89268.2 102426.1 144800.16 127444.34 197624.7 88121.77 111125.73 87183.52 68586.55 101620.76 74739.16 109979.66 94248.84 85430.12 102706.16 101103.52 112955.75 105108.29 105665.77 60453.99 97369.96 87037.39 89937.34 131429.22 102529.02 108123.91 103810.38 111839.96 119261.81 102447.13 149044 16030.55 23264.06 11145 17564.93 14114.48 12717.11 15153.99 6159.67 21979.4 16812.97 11361.96 18626.34 19604.9 16283.87 29374.98 22572.69 19629.35 22289.35 25533.02 25616.01 19089.06 29902.09 6161.12 6237.99 6501.29 6219.46 10602.66 7772.11 6126.46 Glycine 4218745.5 4225560.5 2411739.75 4694640.5 3090727 3320790 5343658.5 3132311.25 3794931.75 1361398.75 2955422 3175795.75 4392955 5581905 1961031.12 10254149 6622026.5 4047261 4980158 5052321.5 6012361.5 4429471.5 4070429.25 5452459 7520445.5 6113182.5 1552615.88 2266119.75 1650740.62 2019337.88 2105143 1557125.38 1554279.5 2082081.12 1464571.5 2102901.75 1511207.88 2154701.75 1761794.88 1262323.5 1009662.06 2042412 1477047.88 1785024 1876505.38 997269.94 1065316.62 832836.25 1640859.38 1938870.62 2415076 2162895.25 39551.22 119271.9 21981.9 55699.58 46288.03 27332.19 33389.36 13134.1 65034.6 44459.86 25162.89 44687.96 36554.86 49097.93 70908.02 82655.65 50908.05 48319.56 74991.44 53560.58 57293.95 85899.04 10438.7 12046.85 10996.11 13482.16 11557.79 3285.53 3616.7 Glycolic acid 854482 1276282.62 686829.06 906714.56 532268.06 694486 1002378.19 521152.38 580839.81 358136.91 874391.81 993972.94 832761.81 1260240.88 547445.38 1665304.62 828593.69 1069597.12 979244.56 902915.81 838780.06 1171249.88 686922.31 1181283.5 1582885.62 1396601.25 543095.62 1113152.88 765665.25 723041.75 659491.56 436704 430616.41 656736.69 476521.62 1100070.25 633116.06 967575 806385 542035.06 486748.53 569328.94 428225.09 879146.69 821420.44 291061.84 254538.31 311977.69 433766.38 1022785.44 935882.25 1082904.88 51311.02 83462.15 36319.85 80891.73 55259.76 50849.14 49719.24 19520.83 114555.34 75339.52 41612.89 81915.38 69530 111210.62 173470.12 139505.05 100603.73 105848.38 134852.2 90955.41 67910.47 111109.09 16915.94 9190.8 21575 29987.77 36971.33 49900.39 46003.56 Pyruvic acid 78747848 78989672 53798484 84993416 70217504 68527176 84650256 58793620 56095252 42185220 80269848 77191976 59957740 57195276 38133508 89626080 66641088 54470164 54574492 74148040 72700736 66243892 90375848 76638280 91684952 82695552 27184598 21852704 21505566 20513424 23865640 17909264 19835574 22916746 17963528 29202122 21143294 26951906 20762654 16845110 13472260 19644458 16050443 25137010 17845630 14075804 18947218 11395203 22372990 25645714 26676722 10268417 7086815.5 10279479 3342198.75 9760557 9523162 8580224 9417797 655979.06 12818619 6427972 4097429.25 12871077 6963633.5 7335364 8556512 9075876 7598246.5 7499245.5 9491627 9582163 9915097 10289392 398315.88 289715.53 634851.69 523645.75 786719.69 884266.69 885293.94 L-Alanine 81607608 88540408 67150104 82430688 73080592 72786568 82161768 71385672 66819632 58568788 78579944 80682808 67461104 65621628 46236080 93530208 78029808 75883880 70138688 86727016 81370360 81518536 73085144 71162408 88450080 72959544 61227780 66475056 64257484 63275328 66944544 58985776 57232972 64392052 57318764 65410156 58657152 64019424 59009908 52792956 49163540 60943500 55157364 60117376 59025372 50453376 48581248 40429348 58809004 60040956 66486964 54594192 261298.31 388385.03 149588.44 312166.5 290319.44 267618.91 306426.81 50052.16 459337.78 401261.84 171116.2 345339.59 420343.84 293013.25 604347.94 380571.47 472421 567445.12 549418.69 844229.56 480040.97 688906.19 48494.8 45279.04 56499.89 49155.72 48942.33 2916.92 2444.01 Oxalic acid 126435.56 119599.75 143741.39 73703.62 100458.76 139757.17 105543.24 93689.62 108773.23 71488.07 95399.15 89085.31 112963.79 118398.05 105603.04 135268.84 130880.01 121500.7 131279.8 121013.98 109190.96 142227.05 144910.36 133196.98 146937.27 146850.77 148918.25 216982.64 179718.3 165600.17 186326.17 191044.73 150228.36 173827.31 154043 192796.23 197532.75 192066.08 184462.8 165024.64 178113.11 185407.95 175987 205466.05 192900.95 162729.08 141709.14 144338.45 209839.61 201075.92 232212.92 231538.02 64738.76 62473.2 69708.77 74936.22 66258.4 64693.42 59748.7 56224.68 70741.78 59307.57 69211.62 58031.52 59218.78 68229.27 76504.73 64310.09 73865.49 66763.69 70274.76 71291.46 65960.49 84517.56 67402.26 63076.09 60363.46 59613.39 57988.28 55425.97 43897.59 L-Lactic acid 304497824 344411936 230394368 289249568 269395808 257069264 259908176 238623040 213339008 254092240 241734256 276717536 164862128 148085760 93587448 311658720 185023296 204645360 199537984 249201216 240644624 231657664 213079504 172810960 348602720 239720304 139864960 189732656 170779632 149739664 115646312 111798456 145143872 144635440 143565680 165472368 108974968 187114032 124671912 102467496 87181224 125867240 93397416 127029160 109152984 121693400 154446256 112820608 141946032 102371368 153855760 92637624 21898960 25831552 10848549 29694352 24807392 21183110 26441136 1172952.88 40532548 17493478 10155948 28767258 22759690 23249272 41211604 42509852 31835760 27990226 39733092 40621264 34868612 36227976 4018992 3833593.25 7689063.5 7134296 286955.66 134886.02 126500.9 Hydroxypropionic acid 304497824 344411936 230394368 289249568 269395808 257069264 259908176 238623040 213339008 254092240 241734256 276717536 164862128 148085760 93587448 311658720 185023296 204645360 199537984 249201216 240644624 231657664 213079504 172810960 348602720 239720304 139864960 189732656 170779632 149739664 115646312 111798456 145143872 144635440 143565680 165472368 108974968 187114032 124671912 102467496 87181224 125867240 93397416 127029160 109152984 121693400 154446256 112820608 141946032 102371368 153855760 92637624 21898960 25831552 10848549 29694352 24807392 21183110 26441136 1172952.88 40532548 17493478 10155948 28767258 22759690 23249272 41211604 42509852 31835760 27990226 39733092 40621264 34868612 36227976 4018992 3833593.25 7689063.5 7134296 251848.25 148925.16 130532.71 Glycerol 108326.52 69901.87 112037.53 56908 147217.17 92634.99 72740.81 112417.88 97823.87 143106.23 61405.22 44809.97 47491.64 74373.38 42033.84 66824.08 57736 46942.5 48729.43 46145.11 47757.06 35019.25 54015.77 54528.82 63061.52 33540.79 82621.52 61646.19 64661.33 51130.43 82731.34 53097.58 108823.09 57826.33 58709.61 81305.09 48780.58 45210.32 32259.82 56274.56 47566.56 50201.34 54996.55 45748.11 44938.12 51433.95 64803.14 42336.32 49151.21 36202.65 59066.32 30392.36 19109.74 9963.22 12416.27 15340.1 20962.78 12321.12 11874.15 809.98 25566.72 16109.3 11377.27 13374.8 6786.91 12144.35 11264.62 20273.97 14274.85 10763.61 16773.63 11057.85 17383.41 13962.14 1783.93 1576.67 3962.13 2230.02 900.16 1044.34 960.53 Tiglic acid 84795.88 62614.21 71098.52 95828.81 59149.03 61577.62 75183.23 53863.16 58194.61 33695.71 94232.32 97261.85 88143.19 98620.03 66975.2 75415.13 87319.35 82844.45 90717.22 83919.37 92946.94 94382.62 79790.04 90782.15 75181.94 84350.08 96172.54 97188.84 82185.75 83849.97 98074.8 75384.2 72894.04 90211.81 84134.76 101283.51 82021.28 94504.35 88804.41 52104.94 61177.36 89165.59 62307.87 97573.43 116179.5 43661.55 48294.72 38205.57 73521.25 98424.23 98321.38 100016.55 230108.38 300174.25 143443.14 289420.47 211358.69 195460.86 176364.62 314557.66 308189.28 187281.75 159441.75 312658.09 185846.64 283984.09 385100.41 347656.72 287117.81 263839.66 312724.22 278281.16 312635.03 258730.05 21222.26 19405.87 29091.34 26466.57 25214.29 14371.94 12178.33 Gamma-Aminobutyric acid 197654.33 189051.88 157172.17 175618.33 138077.2 158121.73 167050.55 121246.75 132882.67 63648.84 220413.3 87405.59 137130 223748.14 75067.88 317688.34 168500.67 145624.55 125398.84 155127.36 169304.7 114346.09 175938.75 137317.34 214972.33 130558.75 279032.44 439982.47 383071.5 425303.47 349692.53 381607.41 286744.28 342812.62 343430.03 283311.34 421846.5 257366.3 344606.03 353591.34 303401.56 423113.84 401396.09 378882.75 326442.62 306835.12 278369.47 208678.2 319826.12 265095.06 339510.88 323287.41 4183.46 4655.52 3562.76 4488.38 4672.91 4270.92 4187.42 3474.74 5014.07 3605.78 4215.06 3730.62 4269.44 4176.42 4198.15 4850.84 4568.32 5100.85 5128.95 4564.2 4281.47 4435.52 4253.24 3512.76 3667.5 3535.27 3443.22 2334.33 3157.63 Dimethylglycine 177661.45 136894.92 79946.5 108429.12 185632.61 71724.47 125465.59 70646.4 179408.31 53012.88 143097.89 110125.1 196052.19 148963.62 135330.86 260071.56 110252.66 157813.08 161922.44 150067.77 92132.77 165926.94 208447.58 225004.69 151942.06 176949.81 142730.89 126033.73 81464.84 88504.25 205345.19 49846.53 56529.04 75990.05 117229.23 90861.3 103802.03 105979.5 130068.34 63546.86 118362.19 66436.77 58565.27 118847.88 121088.32 63476.16 33591.93 52401.09 138439.05 149702.27 85658.46 117251.3 10322.38 9454.44 3362.33 9323.36 16374.33 5523 6211.07 3139.27 15963.17 6905.83 4663.08 8323.28 9546.94 9529.18 19729.7 7894.6 7753.51 10991.1 14535.19 12169.63 6399.35 12813.65 1949.53 2607.97 2477.86 2665.4 2044.83 2424.29 1624.36 Malonic acid 1125349.88 1006167.31 913420.19 1010163.75 690828.56 990563.81 1476600 1116836.62 978043.5 443997.59 1242387.12 993324.81 777209.5 1104835.25 677035.44 1287019 1103390.12 990846.5 883636.81 1127673.62 1006919.31 952902.81 1015195.69 939186.94 1172739 912574.06 1425325.5 1248080.88 1319262.88 1303211.12 1412155.88 1144501.25 1479543.38 1679245.88 1083341.75 1455561.5 1249521.88 1055151 1027941.25 1121479.12 1243736 1410122.88 1200414.62 1157084.88 1116657.12 955698.25 1110057.88 476896.34 1201651 1263177.38 1344449.62 1153498.62 168580.28 147711.12 110482.46 135943.69 145536.39 118155.43 107804.04 103716.49 140470.69 140639.64 148377.2 128926 116393.56 150109.03 217225.19 192672.89 162219.38 158189.78 178480.95 151142.81 132222.7 184441.5 92320.73 88898.62 86891.66 88814.79 152245.98 89830.16 79076.25 Hydroxypyruvic acid 38134.44 44410.3 67360.27 45716.28 57988.7 155558.55 135335.06 109278.25 130410.84 73870.54 233370.88 89501.66 168054.73 170149.67 182457.77 169491.28 190767.33 205451.98 204328.58 219251.55 280769.84 208432.38 221026.3 233030.23 239559.86 283179.03 693798.44 732386.56 770867.5 651799.88 782481.5 777967.81 720777.69 854846.19 993086 761771.81 740878.75 1130274.12 860500.94 645120.44 562127.5 1055683.5 744567.81 719671 1027819.81 708959.31 713023.5 598639.69 1205232.38 865496.31 1427193.88 1738585 115294.24 252072.25 39957.59 146623.52 118264.8 86088.27 81356.26 346508.12 212970.62 106692.18 40717.91 220825.14 82536.87 93743.23 220237.8 222590.44 240654.27 95855.05 202386.94 228120.83 225690.31 277705.19 5792.73 4524.41 5640.5 5615.67 9539.34 9042.85 9119.31 3-Hydroxybutyric acid 12765496 3158492 3427505 3238556.75 11061168 4009632.75 1844284 13153420 2694661.25 8347188 10425832 1788428.62 469187.66 6693478.5 1728345.38 6713125.5 3818435.25 529539.44 1251241 631060.75 723147 417692.09 4797448.5 4388062.5 6536641.5 4134162 9253395 1646069.38 1509098.12 1492101 8009404 1739262.62 652384.62 7318845.5 1078820.88 5924018.5 8212817.5 2541486.25 401872.28 3641464.25 1425359.38 2797845.25 1975626 557818.06 1292127.38 490483.75 503307.16 237837.88 3615502 3490740 4168344 2271047.75 2799342.75 682985.44 366277.12 1025897.31 2119512.75 799699.5 286357.12 9045.8 976768.19 1305898 1775736.62 614957.75 124920.06 1536715.12 1650598.38 1400156.88 1494614.5 163673.5 553517.5 215033.17 251429.7 106603.35 629679.75 514868.88 718859.44 496826.78 10020.91 11281.6 10406.54 L-Serine 1231433 2155275 1283653.88 1626572.5 1374090.38 1372995.88 1908215.38 1063257.25 1646156.12 791589.69 1370972.12 1901948 2813039.75 2607354.75 1276377 3650814.25 1972891.88 2508776 2462520.25 2653807.5 1844628 2879828.75 1714942.38 2327017.75 2417722.75 2849862.75 1322350 2516871 1999370 1758169 1997026.5 1667888.5 1684653.88 1627913.12 1881230.12 2025798.88 1499115.12 2440777.75 2481491 1332750.88 1451270 1892709 1437441.12 2427046.25 2368205.25 1394411 997065.69 1405491.38 1541816.62 1973685.88 1954901.38 2909660.75 55700.16 99193.74 22028.41 77623.18 81908.75 45440.47 44705.56 45446.48 121418.09 73006.35 28556.73 83546.72 105804.15 82157.8 150761.75 97616.96 78698.6 186995.67 140772.83 162681.67 79433.34 184409.69 7362.38 7647.72 9014.86 10658.92 4295.89 999.91 1906.49 Glyceric acid 122211.9 119098.97 72676.22 91527.04 104376.09 73502.09 103952.18 99068.78 84583.78 91222.54 68311.69 98901.23 93707.66 87275.75 46812.43 161459.06 104584.21 93611.9 83396.12 98052.8 111680.12 118185.02 86104.62 117285.76 138794.2 91717.48 54318.57 69255.74 66590.37 62917.39 56110.21 56599.25 56821.88 58302.05 58280.05 72661.33 57233.59 69010.79 66574.94 65824.8 56252.89 64760.57 58987.53 86379.3 66597.81 78077.99 78709.01 57453.05 82443.78 70090.29 96906.03 76796.44 13539.66 15169.93 9535.4 13046.27 11564.79 12416.19 10734.15 6758.27 18196.88 11753.01 8828.4 13584.76 9518.35 13893.41 14475.59 14628.83 13649.84 16657.56 18449.7 13536.07 14782.77 16758.87 7737.77 6032.48 6783.97 6762.66 9283.1 18552.82 12304.29 o-Cresol 57044.83 56832.55 50730.71 59312.2 46702.83 28650.01 43982.53 26071.81 31818.07 25818.9 36014.11 59713.32 53104.22 45905.67 29103.78 44771.88 51084.71 57779.18 55481.77 58419.67 52390.33 58719.93 43817.83 32167.99 48370.59 46393.97 41968.21 40711.31 28771.97 34201.91 36878.88 26755.4 26610.14 38106.33 41293.88 48631.74 29051.31 44470.04 55536.69 21724.92 24663.32 30111.21 25290.68 55041.7 48810.02 27245.47 18246.59 20539.04 34015.55 40522.49 58742.36 47955.5 13881.45 29514.53 8640.77 9866.49 15733.73 6624.87 11738.2 15327.66 14008.08 12758.98 4139.1 17152.7 32161.56 9579.93 14660.27 10089.16 17427.78 18154.37 15563.76 32760.65 15449.36 33212.28 1583.32 1712.35 2818.11 1343.01 9879.91 6897.45 4784.67 Hypotaurine 56836.98 48121.43 54973.19 185224.19 4884.96 80198.72 278424.25 60689.52 243565.55 0 66007.51 57126.36 68195.12 206222.2 28544.18 660022.5 372382.28 47592.04 69471.82 301818.22 295199.41 43977.53 474376.97 65286.96 437319.75 70924.84 166196.86 214403.81 278476.28 393627.75 196178.64 196124 110918.91 410337.59 530155.5 192397.62 164428.94 200303.06 170953.94 24419.03 8112.76 529463.44 167409.48 136008.64 170756.27 44268.64 21115.81 398.85 486868.34 171178.58 624711.56 167911.14 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 Hydroquinone 56343.34 46784.16 54514.7 59949.62 40150.9 54525.86 50930.64 39634.44 38800.07 25337.55 76525.28 58832.57 56720.82 53975.76 34486.43 39840.24 42948.52 49982.75 63345.32 46697.81 55685.36 62241.47 50067.92 57279.53 39117.55 49487.42 62082.36 61653.19 56813.39 48134.82 56791.54 39109.68 39057.14 49882.79 55889.45 54956 50729.26 53932.66 52290.93 37065.88 38613.82 44316.67 30939.06 44511.8 60982.46 28088.98 30317.39 28641.41 15556.13 58571.91 54481.55 67049.27 17262.17 13885.11 6530.97 17544.39 15025 9136.99 11753.51 12084.53 12448.46 9670.98 8076.42 14966.5 12980.6 15093.67 17918.17 15387.88 10997.31 10925.25 19576.97 10499.65 25949.34 24895.79 2031.33 1001.38 3153.36 2744.95 6563.3 5572.74 3538.54 Histamine 89908.47 85907.41 62769.57 83346.02 66974.01 67794.47 72147.8 72327.65 60960.68 38939.93 71762.18 83051.03 107164.19 133536.52 70166.79 130743.12 92407.25 97253.1 83526.45 101101.27 105720.24 108930.7 73822.59 85888.7 106094.73 93048.59 6376.11 4636.06 4872.74 7121.63 6216.39 3021.7 3478.4 8846 3648.82 9753.13 8584.19 9468.8 5954.92 6454.37 2298.23 4126.03 3437.48 6811.41 5468.9 1435.79 2958.9 2980.34 5247.66 8599.96 8326.05 3498.19 0 0 0 0 0 0 135.24 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 166.14 0 0 Uracil 140206.41 137098.02 157609.33 121623.53 377531.75 142508.52 107393.38 340973.97 315385.25 355241.53 223438.88 163025.94 178983.92 192715.7 145872.77 201922.02 206255.52 173730.75 247409.11 137781.67 166286.52 216535.48 162612.3 188396.95 158851.25 251927.3 237349.64 117102.63 115568.76 164590.44 251611.5 188475.55 252655.98 196729.58 221329.92 228162.92 247755.86 207751.27 208428.62 295384.69 322307.88 376868.5 335375.97 203435.94 304570.41 202053.39 210076.92 329525.47 304806.75 225970.2 195725.73 203485.58 105520.79 81610.91 28987.06 48216.27 123683.59 58906.02 61114.92 4088.07 169654.8 126784.29 103728.29 119799.88 101393.87 142981.03 36282.53 108111 107325.81 125998.98 187523.58 94999.21 114844.59 79932.13 16293.92 15140.42 15114.77 19565.9 6630.66 4289.95 3548.02 (2E,4E)-2,4-Hexadienoic acid 145062.62 121810.59 139872.44 157091.7 95237.66 110019.75 108112.3 68504.56 68690.42 43588.12 160017.11 146060.05 109386.57 108147.26 76510.81 83089.24 92848.13 102005.03 126950.95 99146.51 129840.96 126920.12 104423.31 120253.3 82355.45 102499.05 133325.08 162164.42 144541.36 118281.97 127712.57 85550.49 76055.96 116756.02 109650.12 137652.02 117956.16 135533.02 117809.27 66130.65 77311.6 100609.25 73106.02 115709.81 155430.06 56425.76 52399.86 48980.77 94538.13 126839.16 149959.12 112845.95 56025.11 66225.84 33959.91 64057.32 50185.96 39895.64 41814.55 63929.98 84849.83 44490.86 36732.86 80432.07 49010.75 56247.83 90752.25 79213.16 70563.62 70735.03 74822.34 63453.13 72967.7 67003.32 5738.35 4993.47 7119.1 6478.7 25665.28 12883.81 15903.86 Dihydrouracil 2955.18 9752.18 11558.94 8214.83 7470.61 21432.93 61168.48 47138.69 59248.52 14570.09 88398.06 40124.56 73770.32 36665.93 125444.59 46650.09 87807.16 94233.46 116321.02 61242.36 109623.44 76058.01 98411.96 130585.66 107239.06 128708.74 257271.33 223910.3 248835.81 212370.42 216591.7 215510.39 232705.3 257550.19 260506.27 162040.97 184324.69 287956.62 258066.73 224693.7 176814.38 278936.41 276978.41 212186.25 345549.91 283523.75 246927.17 203936.94 412634.97 271043.28 435007.75 360016.75 2845.44 5367.3 3477.74 3323.44 6286.98 2881.24 3673.45 4783.57 4522.9 2239.99 3811.38 3603.51 1992.76 1612.47 1920.81 3966.7 2076.15 6115.81 5567.2 2328.81 2779.32 3834.09 2274.5 2081.11 2471.99 2178.54 15264.36 13207.98 13426.22 L-Proline 1329465.38 1875626 1107210.38 1574385.38 1269442.38 1166224 1681309.62 1078299.62 1570580 789272.56 1505345.88 1817684.5 2556500.75 1500528.38 732905.69 2426201.75 1665282 2239109.25 1836055.38 3175704 1865256 2241400 1688835.12 1420833.5 2573532.75 1628954 768871.25 1369140.62 1071099.38 1159543.62 1138814.12 842630 900710 1035039.56 849362.19 1085842.5 948048.19 1415950.88 2196696 585955.75 681401.75 718255.94 739204 1915858 1053810.5 1547797.62 660438.5 820301.06 878721.75 909577.75 1272176.88 971562.81 64603.33 105877.87 23404.27 104274.19 92343.21 58058.03 61592.73 7876.8 142981.95 89353.49 43147 100546.16 263799.59 84345.55 177383.19 130022.41 118658.7 419413.59 166869.69 455965.91 126230.8 312792.09 7466.07 7232.35 10296.89 10873.23 3107.12 682.75 1106.17 Fumaric acid 9017324 8115797.5 6673632 8391947 7271465.5 7486634.5 10925928 8854576 6441863.5 4057370 8168629.5 7860357.5 5591904.5 9344007 3208889.25 10984692 8919750 6970786.5 6772177.5 7804611.5 7968918.5 6418471.5 8075610.5 6974444.5 10068977 7268178 10962827 10165629 10532171 10735719 11061024 9160467 10508553 12400757 7863486.5 11037473 8768569 9156100 7127613.5 6859036 6772928 10142611 8218535.5 7903281.5 8631090 5109747.5 5735960.5 3250134 8376199.5 7651819.5 9429113 8219320.5 8841.11 10127.5 7675.06 8720.71 8761.76 8473.44 9795.66 6381.53 10811.62 14130.45 8701.75 9609.5 10258.46 11511.12 27230.16 12483.13 13083.12 15189.47 19118.65 12053.02 11179.02 24506.27 6362.16 7531.59 6252.85 6795.75 11955.95 6236.74 5698.34 Alpha-ketoisovaleric acid 897488 1086841.88 1578571.88 980122.56 1223605.25 953310.25 1188718.62 760358.69 907546.31 513834.16 1243971.62 839506 1110866.5 1381533.62 750820.81 1975446 1009437.69 750459.31 635058.81 782527.69 938645.44 938875.25 1285552.88 707194 2399964.25 1093421.62 914456.56 953736.44 1189865.38 1371851.62 795310.19 932440.56 1346702.38 862029.25 583723.5 696634.31 1046814.5 676405.75 995645.94 602050.31 1087556.38 1187949.88 891030.31 1014702.5 634894.81 825473.19 519423 655516.44 1390036.38 574639.06 676310.75 854876.69 207985.69 216457.12 165958.67 329310.09 283943.94 199100.33 204940.55 83357.81 356453 191533.94 154618.84 238405.64 178253.11 243025.92 368979.09 338309.38 334252.22 338830.28 195114.31 261351.5 292745.88 311129.66 32540.67 31428.74 43149.82 37160.3 118386.34 116645.38 104647.32 Acetylglycine 747650.69 375130.25 159503.48 538035.31 679487.88 208471.94 282550.12 570242.06 206615.36 306640.97 786055.25 222040.94 113863.21 635005.31 157661.67 803988 446947.5 260267.12 151900.77 170122.94 229304.3 144193.94 343392.53 531542.56 635445.25 522102.34 792768 410623.91 239067.5 575594.12 1155862 174044.34 165781.45 874587.94 193753.42 800257.06 646619.75 294172.97 98301.35 365927.47 198522.77 451450.97 348051.03 226734.83 167896.2 59733.52 86877.87 53878.26 335523.97 656184.31 538833.69 489458.53 137712.44 58243.57 11052.41 117054.4 156348.02 25992.16 22359.2 10041.4 65056.97 98097.95 65834.63 42579.7 10791.83 105220.12 77233.35 113594.02 98944.93 39407.02 40446.19 18496.75 24367.05 20785.76 9920.81 19402.25 18115.63 16879.17 20343.93 12349.92 10402.74 Guanidoacetic acid 17903.81 13680.74 11137.66 15829.06 18085.3 15895.46 12896.05 15786.03 13404.93 13210.43 12699.62 18517.59 7080.42 10838 8460.41 21331.58 14476.84 11350.12 9596.59 13987.95 19566.85 14831.76 16789.73 13676.8 17866 15219.44 17117.54 17683.82 10089.83 17760.24 12694.52 13381.73 8157.71 15741.81 12620.62 12602.02 14163.73 20705.31 9763.16 8644.33 7864.41 7588.31 9975.52 15335.48 7316.43 9302.33 9369.3 6867.16 12786.66 11612.24 12202.01 17217.12 355.38 1072.5 305.68 1000.03 950.95 754.5 225.12 0 2251.68 1065.74 533.21 938.39 431.91 1173.01 820.24 1566.97 835.94 1329.76 1377.08 846.95 1119.93 871.26 140.68 0 141.03 128.51 141.54 0 0 L-Valine 2450917 2552069.75 1663672.88 2538831.25 2317521.5 1705157 2181944.75 1861249.38 1535003.38 1241675.12 2791802 1961857 2568909.25 2181918.75 956861.44 3770393 2603263.25 3435497.25 1851243 3629633 2522397.75 2327547.25 2727901.25 1938706.38 3345128.75 1816098.38 1898820.5 2276946.75 1656105 2292169.25 2497906.5 1347773.75 1251462.38 2149122 1148554.38 2387110.25 1991260.88 1811082 2102325.75 996807.44 948466.31 1492933.12 1375685.88 2587230.75 1370639.88 1514406.12 958437.19 769538.81 1838081.5 1337340.5 1876228 1327157.12 205609.83 230043.42 72337.98 247014.17 277294.91 152045.78 146232.11 9222.1 197511.95 218894.52 117272.69 210118.05 233375.56 158796.86 261603.23 288146.59 259094 464839.28 287034.28 414591.59 271382.28 316693.88 18501.18 11469.38 21907.04 16470.55 3785.68 1212.79 931.59 Succinic acid 41104392 37605044 27371010 31638816 35293260 28238858 29532922 35836276 28240046 44934108 39949532 35994656 19140496 28613760 13492141 40124532 35105696 35440748 31632566 34419748 39598084 29472360 37937252 37401016 51133132 27327800 53401476 40496688 32369240 26824302 47071892 23802774 16276820 43894000 33046370 69022776 36011340 46318668 21943786 22712110 19525180 25061654 19989142 31790142 37860604 20502574 26590910 12307791 31382518 39142772 51937824 26147478 705807.81 1506328.88 343880.75 625662.19 749305.31 765396.5 609681.56 82453.95 1231820.62 1921738 728922.31 1688647.62 1054665.5 1342762.88 1704788.5 1270834.75 1123063.88 1170626.88 2650025.75 1429989.62 1079482.5 1721709.12 162161.88 163403.94 165977.48 135742.86 108547.09 75435.63 64479.68 2-Hydroxyvaleric acid 3422360 3063176.75 2111417.25 2982226 3823709.75 2734664.75 3762961.75 4481867.5 3202502 2590015.5 3242952 2132315 2923385.75 2403833.25 2447652.75 7782255.5 4751625.5 2994399 2860760.25 4369548 4918459.5 2829066.75 2579916.75 6531848.5 4771763.5 7120088.5 3171841.75 2495653.25 2121097.75 2664993 3177356.75 2179554 3174777.25 3372890 2223734.75 2435006.75 2278930.75 2178830.75 2678849.75 2186109.75 3044053.25 5013674.5 3772546.25 2313120 2304598.75 3400165.25 3501816 2435511 2068570.62 5248065 2397494.75 3228846.25 2068237 1191980 663740.25 2234541.75 1805169.88 1148012.75 1205770.62 55813.22 1752898.88 1394997.12 1119417.62 1088836.88 1186708.62 1159119.12 1351347.38 2760508 2456516.25 944929.31 1585009.62 1619749.5 2073613.12 978077.31 58488.53 147348.38 140495.11 169043.14 48009.89 52505.75 50892.28 L-Threonine 810504.75 1934578.5 903988.69 1058302 1125798.5 882908.75 1569168 493570.28 1277915.12 514340.41 1356543.88 2056488.62 4293253.5 2930058.75 1861814 4344080.5 2218498.25 3032073.25 3945320.25 3831990.75 2346190 4073182.25 2632856.75 3097729.25 2964386.75 3589764 1344169.38 3048066 1840479.62 1640701 2401327.25 1443179.5 1633933.12 1333971.38 1752526.62 2107283.25 1752662.38 2573993.75 3513545.25 1426409 1802315.88 1610571 1188110.12 2587326.75 2916110.75 1494762.12 871274.81 1342408.5 1745455 2006908.62 1743411.5 2525683.25 62917.94 133757.42 25647.07 76860.81 104995.48 47348.66 61450.48 7315.77 131945.02 82603.08 43708.03 105830.31 155154.44 87880.02 215056.44 105333.88 88898.21 181179.86 221489.55 217008.75 87764.12 244434.77 8108.52 8534.69 9755.21 12683.32 6978.45 2218.52 2569.59 Purine 519712.09 396910.16 225599.33 451908.09 455924.72 222100.02 399169.16 338324.12 358848.5 194247.31 456971.41 262773.72 195858.75 321157.22 190958.58 622571.12 389574.28 293139.41 219050.69 352542.09 338565.19 257437.45 408567.41 413971.16 396894.62 315536.28 284405.34 280739.59 209378.92 274577.75 329716.12 189171.25 233107.86 301930.66 261063.83 272501.84 236308 246013.12 201999.12 207478.88 191734.69 218679.75 208610.58 214047.12 193399.31 201407.2 216145.58 164531.2 242603 274556.91 259415.44 255741.27 161083.11 189541.88 134844.66 181516.8 167246.73 161310.66 167034.25 42853.62 186007.3 149388.77 121531.13 178387.86 152379.19 173640.36 190302.75 193195.7 184386.61 171030.72 181098.39 185240.06 167602.22 169765.69 57335.33 56088.4 102744.29 98975.21 44965.36 60841.22 59878.11 Niacinamide 393794.47 578598.06 206868.81 431565.03 349367.22 379687.53 435094.84 284104.62 211808.75 272065.16 357951.47 376854.41 292863.34 243087.25 144612.7 481185.84 358692.5 225456.67 282012.59 336536.81 272369.94 270944.41 382306.59 431878.16 456600.5 501237.84 785600.19 428420 344817.53 443383.75 491056.25 302713.41 265297.19 426904.41 299661.12 421009.16 507643.75 534989.56 334994.47 283088.84 220530.77 317232.66 232307.05 339983.91 184445.5 263490.75 349620.25 287181.72 449674.25 378831.03 334133.28 221949.12 11130.58 12090.44 2596.26 7945.79 12580.79 5660.39 5166.65 914.73 7815.25 7739.65 5597.84 12286.04 1806.4 7768.31 8804.9 9545.96 8527.71 5071.75 8963.21 4425.8 5932.89 9345.9 914.86 1902.7 1844.68 1718.07 5987.63 1047.57 844.48 Threitol 8100.99 12098 8441.56 12119 11052.78 8103.96 16361.64 7869.25 10636.93 7342.94 9551.06 11899.61 9093.01 10140.08 5295.51 18380.04 10547.83 7358.54 10583.8 13048.95 11480.52 9463.97 8278.11 11259.11 10583.63 10765.23 8167.25 11378.04 7634.86 9217.36 9959.38 7187.48 10001.74 8865.61 7038.91 8928.27 8604 8333.44 7136.05 8297.61 7126 10159.6 9248.6 8415.29 9503.42 8562.89 8180.34 5137.24 8333.17 7714.86 9425.49 9097.1 842.51 1425.3 209.74 1511.56 1665.34 1251.55 1288.28 185.89 1662.27 1315.4 1305.44 1236.14 915.94 1253.36 1932.15 2101.58 1348.52 2692.92 2441.59 1363.95 1613.26 2207.57 187.36 140.16 133.36 209 136.41 109.16 0 Taurine 315482048 321932672 300199520 320625440 268311920 304532960 316055328 283748384 272168640 227041616 281369312 273233056 271752480 300636544 197233136 392063520 300395328 262798960 247304144 316227008 315040128 289106816 296894784 257845504 343502304 240712000 268067664 305183904 296950496 285637024 282359712 286486176 279002112 298351968 261622864 294068480 259581696 269316640 276147680 255795152 252740608 267014096 259547584 272333600 263580352 255466320 236453056 212412544 277327680 256964352 309762656 252784720 3062025.75 2892382.25 1367919.88 3215200.75 2692539.75 3235242.25 3065548.75 80515.72 4421064.5 2418493.25 1628975.12 2643999.25 2127969.75 2612270.75 5229335.5 5343819.5 4854254 2992189.75 4561915 5363401.5 5213654 4940824.5 492592 433459.03 888566 630028.31 372401.84 4312.83 5591.41 Pyroglutamic acid 1841574.62 2180831 1363034.5 2324901.25 1538924.62 942868.31 1473008.88 813322.44 1282001.38 31332.5 2874509.25 1365671.62 1389687.75 1377707.5 1103532.75 2665341.75 1661077.5 2521457 1634438 2122514.25 1800764.62 2480481.75 2521403 2071661.5 2677715.25 1771872.5 2694328.25 3324370.75 2589764.5 4556953.5 2352846 2319781.75 1664418.62 2442899.25 1598926.12 3040951 2452635.75 3827802 3173194.75 60676.12 67945.37 2577466.75 2497388.25 3019504.75 2036183.12 76058.76 77342.45 77379.74 2162069.25 2637822.75 3262945.25 3146328.75 179894.62 214408.88 126447.18 225341.02 266046.97 125880.1 125886.8 716265.06 342695.22 188704.44 103387.75 311740.44 199133.17 228626.86 431895.34 577748.31 234216.8 251716.95 398830.84 226783.33 179561.83 266417.78 43370.68 37556.09 39371.86 39399.27 66459.93 15096.12 11862 Pipecolic acid 32139.76 47127.1 22404.12 32143.35 41908.95 29637.1 38578.08 30446.52 18521.57 15782.71 40280.05 32798.07 25294.51 40211.86 16479.09 55644.61 38277.81 39616.57 29479.48 38325.57 41660.38 32990.06 16638.29 38753.44 42019.68 28886.06 27486.05 56506.07 26671.16 32585.86 58337.66 24230.41 23176.24 31526.06 13806.67 29600.12 31635.4 33941.3 26428.99 23979.18 23669.01 25595.62 27572.51 35672.8 26784.63 21408.86 23684.62 14590.41 15870.55 34920.16 28075.62 29693.97 4358.46 6214.1 940.62 5227.78 7291.8 3291.01 4069.95 494.17 3853.3 3605.29 3140.5 4003.91 2842.9 4810.95 7767.57 5185.18 6292.16 5567.81 5953.82 4879.25 5443.44 6005.08 741.47 798.33 493.24 769.97 597.29 497.01 270.51 Citraconic acid 379089.84 391204.84 507824.28 407067.75 331262.53 450790.09 687953.81 385956.75 480531.84 221507.48 471116.53 436494.25 450838.88 647089.75 319653.16 1115340.88 589833.19 475182.78 393823.12 520142.34 571442.06 488849.84 581806.06 471806.38 889611.31 424332.09 951537.31 1256868.38 1072173.38 988825.75 1058425 805045.31 748613.44 1100706.88 742811.44 936921.31 1192137.75 862064.75 885357.81 742399.31 671546.06 967097.75 750954.69 765403.06 871288.31 582129.31 575730 480564.84 1000383.69 817694.31 1146127.5 878675.5 21722.97 28748.51 6721.38 20993.77 31711.49 30837.61 26835.68 3980.27 53625.7 23784.91 20708.6 29642.48 22938.41 22778.43 76802.41 57956.43 54110.83 29080.21 35490.01 43336.64 36884.75 60094.38 5168.4 4966.59 3889.43 4728.76 6124.92 8375.89 7184.79 Ketoleucine 2391494.25 1977664.12 2098237 1942600.38 2518002.75 1050381.25 1200093.75 1479048.38 891558.94 1415005.5 4222290.5 1820619.62 1549535.12 2650165.25 1162398.12 2647182.25 1468127.88 1313065.5 732455.25 1082333.38 895697.5 1060133.62 2245838.75 1349992 4125609 1309105.38 1359281.88 1203548.38 1268340.5 1833171.62 1239733.5 801983.69 1023750.19 1352694.62 399119.16 1252853.88 1548876.12 605558.44 1067002 632813.75 1018022.19 1309547.38 927362.75 1417462.5 503789.75 824593.44 455497.84 760005.69 1789724.62 582992.31 740221.94 787817.75 606384.31 376237.41 298586.59 739120.5 717774.31 352659.34 431793.41 82719.3 594243.31 686661.19 427688.03 386731.16 346178.47 705315.31 817509.06 889010.31 755729.69 1183090.12 380056.25 488114.66 522036.91 389717.72 140175.14 91606.23 105541.81 88097.75 85753.34 85741.09 79728.1 4-Hydroxyproline 192071.33 218027.2 173401.23 295037.16 174240.2 231911.42 510566.97 276179.72 336728.5 100475.2 119951.31 191343.08 334591.28 499431.34 161474.2 1071243 790333.69 266551.06 557058.31 643054.69 811847.44 291291.5 621599.94 440753.38 1103306.62 545276.12 134285.02 173269.95 132329.36 198118.45 160347.33 191690.3 254478.27 233557.5 226904.81 192723.44 121880.34 141885.12 161434.73 179596.86 126379 377522.28 248272.7 173548.33 209743.23 177082.17 200424.64 73870.01 230937.55 178235.31 276580.16 223254.62 7532.23 13624.12 4902.13 12955.3 9859.84 8067.62 9528.3 1602.19 18831.48 7638.06 5818.36 9191.15 9568.44 13435.8 15636.04 17611.8 14003.92 10288.57 15168.86 15803.58 14162.16 12339.27 2523.19 2687.48 2630.19 1816.11 1436.18 1333.89 1188.76 N-Acetyl-L-alanine 79557.54 91540.77 74834.7 90892.62 107008.8 70999.26 81793.8 100929.57 82913.59 69200.57 81581.46 54895.13 55248.59 96626.52 33274.16 142951.69 75696.29 56220.12 59944.28 68900.91 83092.98 56304.31 87827.46 67002.62 115375.72 78049.13 60336.06 59167.83 47039.51 63431.25 81628.57 41148.38 61634.56 69604.27 60633.8 62797.62 45602.68 55083.84 34265.41 57995.93 49378.53 58986.22 57265.12 46018.71 51620.98 52746.25 52258.21 35133.07 81358.09 43823.7 68854.76 50196.87 10099.88 10762.07 6483.26 7831.07 8979.12 7402.93 9005.19 3155.93 8759.91 8172.4 4652.06 8409.7 6701.95 7234.82 9718.54 10226.06 9683.19 7516.92 11625.91 7165.73 6447.44 8518.54 3822.7 2626.07 3065.64 4647.46 4368.03 3771.46 2971.91 Creatine 84252184 91606040 65931104 87328640 76067712 75593792 84122816 74687264 65111492 57168020 80581688 83455016 65791660 65814832 43042656 98547240 80351888 75085368 70766760 85953112 81996184 84773560 76016936 72478400 92928536 74986600 59765780 65142284 61900800 62839460 67153208 57143200 54438124 65068512 54936992 65978016 58506308 61633436 56042420 51600032 46616620 58853164 51704556 57186828 58270364 45633252 44189960 37658552 56995788 60822316 66949564 54228276 104181.75 116507.35 36044.57 98176.15 122300.34 85143.81 93394.54 2743.07 140380.38 124455.71 58964.93 100027.99 73627.12 84549.5 192109.17 129188.35 205358.7 179335.19 156502.55 192874.36 166536.8 184584.25 8202.83 10509.06 14812.16 7960.85 18237.82 765.68 837.8 3-Methylindole 204149.42 162869.5 124920.55 160338.33 226623.5 115091.1 92580.27 136323.61 149639.14 196286.39 204652.67 134177.7 160420.58 123987.77 59880.25 81331.27 98264.1 144699.44 141425.56 101674.63 80176.85 104520.23 147146.33 133557.48 111976.37 99230.75 125896.15 110997 66405.64 112968.43 143915.02 76458.04 89483.94 90642.84 110549.59 129062.66 165617.95 106231.15 135799.36 132850.16 111315.84 86684.03 114821.69 121074.9 97360.34 159091.58 106489.99 101379.41 157122.12 102032.73 112730.51 86577.2 241580.8 297647.78 144431.81 675350.25 324252.59 301491.59 152154.48 4579.83 536502.44 211144.25 176154.38 366578.16 381002.66 362481.72 388793.34 376452.59 413380.34 541793.56 367258.28 392162.41 325638.78 234910.86 34638.56 15829.55 38537.51 14104.77 0 0 0 L-Isoleucine 1734636.5 1395647.62 878548.06 1489956.38 1555137.62 813934.75 891152.44 1445126.88 709909.56 1007609.69 2085367 961712.5 984622.31 1358043 474861 1860323.12 1272397.38 1833477.38 926684.31 1266154.88 968609.94 1041883.25 1590677 1142730.5 1486047.12 896071.25 1180916 1150080.12 825614.25 1282313 1443562.38 651280.75 538697 1439574.5 563931.31 1650340.12 1438716.38 851644.06 814744 695994.56 511010.16 858652.19 766045.5 1465448.38 673379.19 666908.69 455846.97 401862.78 1239930.5 842127.5 955621.75 779261.56 193416.7 164280.31 54688.18 196821.52 230382.06 104703.19 98222.2 8484.73 124206.06 215172.58 131947.02 155321.06 142796.75 134678.95 179550.5 218107.12 192793.98 359752.16 204153.05 221063.8 180950.67 223359.73 16446.44 9464.5 16992.09 12717.33 5047.9 1772.8 1696.88 L-Leucine 2989460 2454043.25 1305990.5 2603813.25 2039345.88 1343234.5 1700414.62 1735820.38 965216.31 1333130 3310234.75 1887256.62 2260988.75 2321851.75 886414.19 3487910 2338386.25 4004515 1604657.38 3220884.75 2042039.62 2321238.75 2898011.25 1909760.5 3120092.25 1766807.12 2122784.25 2265750.25 1626971.88 2217288.25 2725399.75 985833.06 844355.31 2560780.25 820592 2791050 2312153.25 1754715.12 2004418.88 1019497 795500.81 1194590.38 1105146.38 3267869 1296324.75 1244862.62 770238.25 723568.25 1643722.38 1423202.62 1872313.62 1416836.12 306754.03 284972.97 86718.81 340662.91 355091.53 171433.02 164646.42 11062.81 250312.45 296464.16 165925.03 266004.09 272449.81 244157.12 371522 411899 367638.34 694140.25 395278.16 507950 346266.97 429226.25 23772.39 15362.74 28786.56 21234.28 4775.7 1772.8 1765.64 Methylsuccinic acid 322740.03 329822.41 307556.12 333866.72 219933.17 358386.59 404920.5 205689.08 256560.75 157455.84 367120.5 342082 278061.38 266188.59 231316.3 388296.75 314795.22 390564.66 327166.22 368912.16 342635.28 384740.72 349440.03 249729.88 523019.91 341907.75 258190.75 480908.91 431683.5 404880.72 246525.7 304151.72 314577.22 317159.28 271688 270662.78 295848.91 273983.69 263328.56 244621.83 204816.69 288616.31 277902.81 501375.97 282815.44 225934.19 297620.59 231481.67 274238.38 267310.53 344285 268762.06 157979.8 308237.41 169136 267222.19 154077.05 267335.66 261003.12 18105.54 307192.62 237605.62 130574.51 271590.16 201491.52 235822.98 294970.34 282441.78 322226.88 348621.88 375448.91 296124.47 350493 324701.78 25282.71 20269.17 50996.61 23463 31838.32 12558.32 12259.5 Glutaric acid 322740.03 329822.41 307556.12 333866.72 219933.17 358386.59 404920.5 205689.08 256560.75 157455.84 367120.5 342082 278061.38 266188.59 231316.3 388296.75 314795.22 390564.66 327166.22 368912.16 342635.28 384740.72 349440.03 249729.88 523019.91 341907.75 258190.75 480908.91 431683.5 404880.72 246525.7 304151.72 314577.22 317159.28 271688 270662.78 295848.91 273983.69 263328.56 244621.83 204816.69 288616.31 277902.81 501375.97 282815.44 225934.19 297620.59 231481.67 274238.38 267310.53 344285 268762.06 157979.8 308237.41 169136 267222.19 154077.05 267335.66 261003.12 18105.54 307192.62 237605.62 130574.51 271590.16 201491.52 235822.98 294970.34 282441.78 322226.88 348621.88 375448.91 296124.47 350493 324701.78 25282.71 20269.17 50996.61 23463 31838.32 12558.32 12259.5 Ureidopropionic acid 66171.3 69747.43 39088.14 66841.63 48311.03 48036.84 52733.32 49628.95 39342.55 21626.17 71592.99 36053.94 40273.21 74889.16 19651.17 114301.19 65451.39 54321.17 39634.82 49680.49 46639.51 47688.08 84108.05 61006.92 94941.53 56057.24 34382.97 40759 33965.32 49864.95 44435.76 29692.72 29638.61 43646.75 23033.88 39531.48 32867.05 26684.71 27796.1 30783.96 29273.79 33118.63 32905.07 36185.34 27029.64 16195.59 20194.18 15304.41 43090.42 33490.81 38508.25 28120.21 3992.24 7335.31 2782.65 3339.81 6151.56 4039.86 4603.25 754.25 10167.82 9640.7 2258.95 4282.92 2341.59 4006.99 5545.07 7789.01 7051.58 6189.51 6219.22 3677.95 5866.97 2720.48 2781.83 1272.46 2403.46 1288.11 582 430.14 442.66 L-Asparagine 271831.72 292294.22 122661.84 319429.47 258462.73 179461.89 203561 236175.75 197695.52 147545.39 299872.56 168326.67 234425.14 410223.84 178431.42 512249.84 315888.28 288850.12 266118.72 136441.66 197696.44 242966.7 389212.78 419722 431066.12 364060 421228.03 511246.16 323959.22 505850.38 537670 401475.38 274019.38 457589.53 350547.84 461238.16 397727.5 291221.28 304939.69 318147.91 268248.16 426878.5 317355.5 481311.5 350168.12 139156.48 180737.55 147335.58 333501.72 557417.94 452437.12 517229.72 12389.1 14674.9 3939.8 13513.26 14525.09 8423.41 7791.77 1355.36 16623.62 17530.94 6446.72 9366.12 9542.28 13651.61 28288.8 19204.96 16611.6 14921.49 21536.26 13769.22 14926.08 22307.33 2323.33 1199.34 1746.82 1902.25 583.38 380.23 414.31 2-Hydroxycaproic acid 965252.06 433083.5 318901.44 673912.44 535680.5 431094.12 442328.97 562554.12 300670.28 90114.5 883668.75 268458.16 492341.91 594654.69 541912.69 1183142 743771.06 686248.56 372852.5 699274.94 761889.75 724127.25 619705 997800.94 911444.5 1338107.75 1037307.19 590295.06 422437.75 836140.75 816548.5 395700.5 303250.72 998373.06 388310 791900.5 1033946.69 441721.03 562920.19 247642.02 467287.78 755327.31 474225.16 706673.69 453358 210716.2 180518.05 160702.61 553477.06 1080955.38 545925.94 901517.31 68635.12 59203.47 14456.61 116806.28 67001.53 38256.89 31893.63 6557.13 114587.43 36794.81 38720.48 42757.29 36997.93 58921.48 247459.39 201728.25 171437.55 91181.63 87753.56 141540.08 139316.73 140782.52 5910.8 3253.98 6208.93 3281.99 6271.37 692.67 5491.24 Ornithine 287567.5 295555.09 264038.88 275688.72 261192.45 290173.03 215026.67 205112.17 188000.8 130528.82 360832.53 353379.5 350172.22 369309.62 269308.62 703696.25 438447.12 459370.34 265820.47 321599.28 290078.03 376697.59 369450.59 383041.84 723485.81 335277.12 375896.78 431532.91 374206.88 382235.88 452035.41 314734.78 201903.12 366654.88 195492.7 489418.5 448599.59 474471.84 377323.88 249983.81 232485.39 308063.72 263572.66 497264.47 293662.44 148441.17 144782.02 153449.69 293895.09 421396.78 350390.16 330478.22 13186.53 15859.53 4986.97 15702.7 10044.87 7507.7 7745.85 1981.21 9622.78 6281.03 6803.08 8020.36 8061.19 7186.99 17036.52 19126.6 14625 15066.45 10109.81 17834.55 10946.29 21777.4 1021.21 1033.78 839.76 1369.5 729.65 214.76 179.81 L-Aspartic acid 2066440.38 1584414.88 1237026.75 2318625.75 1639790.62 1649855.5 2339985.5 2262229.25 1427625.62 632651.94 1985822.88 1101274.62 1797433.12 2074041 1092389.38 3538701 3030672.75 2487090.75 1772922.38 2643054.25 2894923.25 1762635 2448508 2786601.25 2322221.75 2302421.75 6025874.5 5301046 4858921.5 5437609.5 9639215 4382403 4098904 6735028.5 4011245.75 7377120 4199498 5330538.5 3748973.25 4422001.5 4026390 6659109.5 4861630.5 6350748 4979737.5 2856345.75 3255177.25 1850814.62 4600089 6947806.5 6496117.5 6395882 6475.26 5551.45 4408.88 5939.55 6375.14 5533.36 6860.35 4917.32 10402.8 6148.56 4042.08 8359.35 6252.95 6453.07 12072.03 11056.19 8476.11 7794.68 16314.04 9684.3 11161.59 16144.43 3495.15 3395.87 4620.49 4322.03 12455.63 4044.53 4869.56 L-Malic acid 93329208 85462488 70842880 88594680 78059440 81397016 114973056 94508448 69516960 42239212 85703880 82002312 59842480 97792184 33630008 115605688 92350552 71969984 69919560 83657128 81474552 67831592 81449144 72904720 105443672 76757336 118591800 106995416 112529656 113441304 117557784 96549568 113529448 135322704 84032440 119268184 93137152 96665784 74566120 73662408 72814776 106892160 86820472 84133608 91100000 54983148 62072188 34255788 87843432 83354504 99784888 87845376 60169.45 99823.21 33943.5 57824.55 54512.39 61489.42 74019.16 22271.56 105493.69 144143.89 46000.56 82872.74 100758.72 102462.59 288222.91 121454.02 103052.15 163945.33 212813.88 120110.16 112819.57 259849.67 30399.12 25633.15 23315.41 27134.86 120099.76 42531.44 40691.47 Deoxyribose 23192.56 23348.73 28592.14 22062.47 12127.68 21808.59 25317.53 11764.85 15583.17 18918.8 14707.48 34036.34 15902.8 15971.36 14094.26 31193 17970.44 31377.34 33098.26 36844.97 21007.46 26106.1 16258.98 17048.7 25966.3 15704.22 18930.62 55193.58 52674.73 23569.88 33637.39 23598.36 32804.18 21929.85 25316.21 45434.08 19526.39 75499.74 45214.31 25020.01 24029.05 24350.83 17697.04 23799.34 57747.97 35651.41 25039.54 17420.28 37381.71 17626.33 49546.03 26603.07 3516.26 6570.45 1988.48 5605.34 5708.71 2093.29 4649.57 2119.57 6281.96 3417.94 2809.48 5869.35 2754.93 3177.6 5429.6 4309.63 8159.75 5679.74 10484.89 10678.84 6662.11 5731.96 1001.45 908.01 966.42 763.74 1026.54 3918.45 3187.24 Adenine 899257.56 1033574.25 518216.12 980950.06 780063.5 639860.06 745758 700264 724257 1534687.38 1004045.06 915335.94 620164 619787 585374.44 985508.19 637433.5 557320.69 836905.69 626662.94 683467.19 846621.44 779165.5 688441.94 818515.31 862642.19 3480515 2192126.75 1873499 2409119.25 2448897 1501516.62 1600193.88 1721665.62 1894107.5 2316309.25 2106201.75 2517152.25 1585044.5 1624896 1495721.12 1811016.5 1673128.38 1462132 1497061.62 1238552.12 2037200.88 1348347.5 2035738.5 1728675.62 2010041.62 1660983 18592.05 14253.67 190462.42 10402.63 11134.76 13958.48 9489.56 10316.1 11126.07 8261.48 8783.03 10407.33 9728.13 5166.98 7746.21 11365.94 11999.03 9689.03 7224.19 11008.26 11696.4 9022.56 7098.79 9598.12 6980.54 6693.82 37275.52 1598.61 1161.24 Threonic acid 171465.48 195249.62 149104.36 210671.31 63916.66 224768.45 486769.5 116832.95 183653.17 65488.88 585180.56 329509.09 346662.5 388618.03 228306.38 662819.81 473432.34 490632.16 350024.53 602861 722977.31 441678.5 512197 441869.41 755688 567081.62 882340 1442713.12 1305197.12 1021810.81 1264703.12 612827.31 518852.34 1208006.38 591419.25 1003040.5 916038.19 1644793.5 1021779.25 155646.83 233364.92 749039.69 539998 982338.5 1163863.12 81260.06 70989.62 26308.83 891191.75 1117075.12 1960456.38 1287972 2126.83 2602.85 2603.54 3792.55 1946.95 2306.14 1327.82 1253.83 3144.29 3529.2 1846.91 2145.77 1401.29 24169.49 5251.01 5427.88 5999.35 2412.15 5726.34 7263.63 3679.88 3666.08 1237.17 1286.48 727.81 1119.65 1232.78 674.65 487.83 Hypoxanthine 469698.09 449773.34 241052.95 573138.88 437210.5 295747.84 228987.95 178386.2 236599.12 404380.84 746544.25 559405.06 114082.4 184775.92 68755.09 277035.72 186047.98 105880.31 194625.17 150566.61 175379.56 177406 572357.19 225805.73 1259093.12 237850.31 1236547.38 1338187.38 751265.5 1096456.62 931885.25 301693.91 279657.66 574699.25 545982.5 844338.44 848167.25 1131552.88 265719.25 288664.25 202985.05 384612.66 301111.41 282900.78 211654.17 217877.88 440781.97 146037.17 805244.06 404906.78 948036 296100 8476.81 16385.11 5990.26 30067.83 4538.74 6145.9 2161.41 2551.49 1957.98 35849.42 1612.27 3800.19 2439.13 21034.4 4244.01 2004.33 10072.19 2212.17 3147.78 2157.05 3762.26 2619.05 2142.24 2780.28 5203.67 1787.57 3454.94 2823.21 1914.41 3-Hydroxybenzoic acid 418739.84 5860032.5 332051 252596.64 150178.17 255038.33 158163.39 304820.66 315121.28 405345.5 322700.09 153981.23 221610.98 171554.75 151950.05 116809.34 611113.69 184948.11 169263.3 375227.09 252328.75 178563.62 353555.97 127310.98 132527.77 81292.93 163684.61 252590.45 161187.3 225252.86 127923.97 120311.65 128198.46 189490.11 100887.38 156514.69 200735.42 104144.91 210437.86 102151.04 67084.71 108191.56 156419.06 229222.83 176663.88 136864.2 165240.98 159141.47 118915.44 116903.09 224279.83 83970.69 47983.49 33129.84 15719.18 65157.7 23368.8 17327.21 33029.26 9210.61 31850.79 19039.91 11281.72 22275.4 38536.8 18308 23378.45 45208.34 30223.99 15177.82 19025.27 70394.95 81750.49 26891.38 12457.07 7629.57 18631.91 7987.43 15647.19 10958.35 11558.23 Acetylphosphate 112417.46 91934.63 181463.73 93055.24 76585.73 141765.55 193328.5 87661.07 121362 70945.75 131889.67 119220.66 154482.17 183914.11 138829.83 166939.19 128187.32 134574.14 156961.44 208255.88 117367.04 152281.25 195674.86 109868.9 200188.31 113205.2 26794.17 59602.39 87257.2 45795.58 14350.14 70907.28 78884.96 53699.96 50695.36 28345.98 28758.08 36880.06 93147.66 45075.32 47579.53 56939.97 40910.28 91279.46 67968.59 76239.57 58598.09 59151.05 59491.17 39102.05 58767.18 33422.24 634.55 936.37 535.89 618.83 714.64 581.71 399.58 0 311.71 884.43 184.68 740.91 533.49 651.33 391.26 486.77 391.16 321.15 485.8 226.23 716.05 540.94 0 0 0 170.06 1019.03 0 0 Methylimidazoleacetic acid 1089.48 817.65 803.94 946.19 932.03 4425.11 10868.61 1032.63 1158.44 1491.81 20918.48 9181.15 4333.77 6066.79 11186.61 30532.14 2892.85 5432.61 4928.69 5377.59 6235.37 7405.86 4653.85 7744.35 4609.04 11435.03 1903.23 3711.21 3538.14 3624.74 2757.07 1892.39 1871.03 3324.05 2529.91 10230.29 19303.28 9997.51 3024.52 1689.66 1233.53 9385.18 1433.68 4437.95 3809.97 1046.88 2252.73 2128.99 4218.33 5552.73 2012.64 6710.42 1263.51 1133.13 1028 1104.35 1417.15 2093.12 1102.62 452.52 1686 741.65 793.9 992.06 1017.11 852.52 1960.63 1720.44 1756.09 1159.85 1110.45 1609.64 1512.58 1106.85 924.74 473.3 1197.01 654.06 1310.72 1183.38 946.61 Carbamoyl phosphate 13508.64 13442.08 10940.05 10314.22 12526.8 19515.99 11792.31 13574.21 11483.09 16190.67 17267.37 12901.2 6376.11 11883.58 14732.88 12480.86 15576.12 6559.41 13703.22 9160.99 11918.84 13139.74 6279.08 10187.23 13062.91 10755.61 8964.47 7512.71 13423.89 13381.91 13378.38 16384.33 14238.97 9548.29 12395.29 14506.74 10101.47 8676.82 10046.57 11307.77 10745.18 12139.84 11627.42 5041.4 11994.3 16358.23 9718.04 10503.33 14882.9 9404.46 10903.36 11908.99 1425.1 852.3 254.29 1097.29 652.52 309.66 796.38 0 1208.93 333 553.06 907.29 0 954.25 1047.14 1597.57 1276.53 1282.43 1856.84 1030.64 1141.3 1376.13 0 0 0 0 0 0 0 O-Phosphoethanolamine 511062.28 566156.19 443938.5 476072.91 428262.25 479324.28 619159.56 393129.53 652769.88 265954.31 577871.19 476323.41 351509.91 442412.59 259246.38 766194.81 635041.75 483368 514170.78 592235.75 715825.19 477438.88 877146.25 523111.38 1123019.25 489010.41 1475136 2040798.62 1876576.38 1704115.38 2133573.5 1494575.38 1245760.62 1909630 1513061.38 1773116 1489901.5 1539966.12 1128955.75 913141.81 743524.75 1555196.38 1167189.62 1531690.38 1249872 723963.75 867404.69 497156.34 1964421.62 1525314.62 2182536.75 1506316.88 4782.56 4727.81 669.47 4330.05 3891.01 2356.25 3268.76 845.59 3579.22 3831.32 1899.95 3606.41 1549.9 3120.36 5873.35 6674.25 6317.96 3705.29 5529.19 6143.1 7503.69 5792.55 1034.76 1040.25 756.84 645.19 3005.46 384.44 882.51 3-Methylglutaconic acid 938842.5 971669.81 920148 1010729.06 692545 1017879.75 1180577.12 661086.38 826886.19 500761.53 1059974.88 1033504.31 863067.81 859912 755005.06 1154948.5 952183.75 1173947.38 977750.5 1114718.38 1068167.12 1166766 1039995 798505.31 1462738.38 1040427.69 781941.69 1341890.12 1248874.12 1181245.5 767374 922712.19 954981 960895.81 829652.5 844680.69 873715.31 883551.31 843999.75 672639.31 617373.25 913715.81 853319.69 1436055.12 884470.81 709140.44 849600.5 700945.44 862021.69 854771.81 1055881.12 850072.25 452466.41 867137.19 509001.78 735416.31 428988.75 727403.19 746880.25 2359.83 822145.44 686528.31 386438.59 710368.94 573652.56 668366.44 805995.75 759254.19 848742.19 876271.31 943117.19 782570.5 915372.5 848830.56 58282.33 50311.87 140335.95 66528.99 3640.71 2042.22 2926.21 N-Butyrylglycine 71822.21 34757.47 24314.67 56558 81850.37 41901.35 36259.16 47058.29 20689.79 52298.65 108284.79 37349.71 9664.38 51991.21 21402.92 59593.59 35507.39 34118.98 21327.22 20643.69 8212.74 17135.09 35383.22 50190.86 59841.8 38679.32 90736.31 157598.56 55353.91 73547.4 101088.74 29568.11 22584.43 71172.18 18879.04 73578.4 92915.38 44336.43 21698.51 61480.33 34342.33 59547.08 37283.29 70240.04 23100.52 22207.52 20658.21 13137.93 37163.48 62013.21 63495.09 42500.35 88475.62 57199.06 13813.76 54376.84 128420.27 36404.75 19858.53 3536.44 26354.84 106281.23 57126.75 45181.36 12405.97 84767.38 60462.65 83794.32 66364.1 72227.59 63157.79 18323.46 25298.42 19421.21 7138.85 11520.91 11677.19 9335.86 10181.71 11551.95 10809.25 Acetylcholine 3208.24 10777.99 2219.32 2635.17 5829.01 1656.98 3098.06 1555.36 3234.97 547.79 3721.81 2067.3 5454.3 3924.54 1067.14 3106.36 2901.11 2518.25 4724.39 4051.51 2691.11 2357.85 2628.67 2147.94 1035.68 3800 2437.98 9967.55 1728.44 2145.68 5837.93 1027.65 1691.59 2401.41 1752.56 2307.84 2683.51 2594.36 4827.85 1280.99 1131.14 2207.89 1874.46 2645.16 4365.87 2452.78 1500.38 2065.35 1638 2485.39 2131.11 2280.43 0 709.06 0 0 702.57 0 0 0 512.14 0 0 0 193.07 190.12 154.99 272.89 366.6 0 732.55 150.3 154.28 577.61 0 0 0 0 0 0 0 4-Trimethylammoniobutanoic acid 7116.98 2043.94 5581.92 4583.51 2993.63 1657.31 2605.98 2634.41 4349.9 1101.2 1396.51 1443.23 2477.73 2423.77 1458.37 6951.79 3009.41 2460.89 4544.18 5012.08 4663.17 4941.5 5102.33 2167.71 3008.8 5953.52 11795.93 4922.14 12424.48 12483.6 10262.42 4214.64 4516.24 8055.6 3285.72 5237.56 5857.25 4126.39 6649.85 3846.73 4637.24 6565.03 4727.01 7753.55 7201.36 3842.8 4044.34 4698.99 5041.37 6242.36 5587.28 7139.11 0 0 0 187.96 0 0 0 0 0 0 0 0 0 155.3 0 0 0 0 0 0 0 0 0 0 131.45 0 0 0 0 Oxoglutaric acid 465593.09 453653.62 545027.69 417387.09 405686.78 465425.84 529777.5 379585.25 556317.25 226415.23 663557.31 282536.03 372038.62 1096490.12 319523.78 808905.81 417402.41 335757.91 344897.5 336948.16 349926.59 281555.44 447678.53 297003.78 1051273.38 354438.22 609882.06 928804.31 664170.19 717801 633912.5 645682.69 528602.25 640823.06 560052.94 517862.59 902043.44 511215 630231.06 636083.69 599974.81 660545.81 626525.75 630024.69 599745.19 521067.25 562691.75 409234.28 508797.78 475311 628559.5 525769.31 25934.08 66994.07 19534.4 30730.52 25812.82 37588.13 32916.27 525.65 73881.2 72625.79 44272.22 35436.89 66349.1 58883.71 85218.24 50546.05 31891.52 45227.95 54240.05 57184.04 29454.5 68072.62 6700.88 5782.48 3393.77 5144.51 4266.6 945.77 795.8 L-Glutamine 15513427 17719322 12963480 15500159 13561884 15022619 20037696 11812899 13458343 7459066 14933757 15308580 24164350 27498410 14682288 39452764 20384358 21712928 20892928 18404438 17530894 22472240 18467762 25482298 22953802 26644078 21715872 22852336 21714686 21397816 24384464 19702222 18442282 22369674 15926701 21457926 20763080 20067104 27737994 18553458 21092050 21427418 15127239 27354434 23575382 11915737 10619179 13303635 20651792 28997248 17892830 29599960 497537 617686.62 193318.17 559488 437460.53 385203.53 448061.16 3205.81 602764 449026.09 286066 503401.91 471230.88 716706.5 966697.56 806071.31 559008.69 641724.56 939255.69 712176.19 567865.56 908971.44 47858.24 53695.91 64973.48 84659.37 15097.96 331.62 369.03 L-Lysine 501171.25 749510.31 807354.5 669462.19 582130.38 831223.06 600004 438526 548089.19 266335.12 685795.25 1063823.62 1405300.62 817347.5 903792 2133011.75 1088330.38 1215392.12 839044.19 1063994 877423 1281905.5 838529.75 873544.69 2044854.88 858787.69 660806.44 1103498.88 1071554.38 892759.19 1078356.12 793539.31 511218.72 746522 500435.78 917531.25 809030.44 1326571.62 1317469.5 512977.34 744950.75 681138.31 576769.75 1153692.75 839286.81 450143.5 381102.75 491003.47 619847 881137.5 878099.19 762193.06 25140.19 38011.61 11785.92 34885.88 32811.25 18663.64 17422.57 1021.18 30083.88 20655.23 10859.86 29176.33 33504.24 23923.88 58316.81 40962.27 36865.58 59718.03 45663.03 49665.12 31582.76 67388.6 2643.75 1876.93 2618.27 2638.67 2099.59 169.92 0 O-Acetylserine 105917.23 98793.66 63394.39 111010.1 97796.01 50529.69 54452.3 63742.59 57246.87 75497.62 54598.72 44389.05 45706.96 76499.7 22199.22 89643.41 43528.38 46815.21 54121.19 33392.71 40399.64 35400.7 53378.38 36887.54 50397.12 66813.88 20037.21 25516.18 17721.52 25353.1 18550.19 16803.3 24299.36 28968.27 21689.88 27113.3 16078.45 24004.85 18521.45 27095.67 21326.14 23792.43 26548.62 18385.49 24505.4 25399.11 21753.4 19040.42 26913.32 17546.17 24952.31 31246.26 3129.16 2960.78 2462.03 3557.18 4309.1 2611.35 2688.4 2475.84 2808.94 3979.38 3605.71 3243.4 3434.18 3465.77 5806.26 5266.55 3141.91 4647.3 3914.87 3833.66 3701.34 5360.95 2235.12 2331.76 2689.27 2382.35 2508.29 2597.85 2449.92 N-Acetylserine 664061.81 685577.19 424121.62 667077.81 518414.25 427827.25 595441.75 508602.59 528324.06 208287.77 660337.75 509633.91 537873.19 829286.81 305621.78 1026425 627823.88 551710.19 543915.06 630607.75 678047.44 521688.5 800752.31 639278.56 854881.81 576532.25 224158.05 254985.92 212014.58 259766.02 333301.47 164759.39 171767.61 280290.78 221435.17 295455.69 221078.61 277473.03 205027.61 152952.16 156931.11 229552.3 190006.12 235617.67 219671 149001.44 140907.33 108993.66 295825.59 241842.7 339987.41 247407.7 13124.1 13401.63 2989.92 15327.07 17169.42 7069.89 8209.87 9801.83 22948.01 11575.43 7914.81 17732.73 11352.96 13457.77 36702.64 39782.9 22648.33 25126.98 23238.79 24629.55 15899.83 26051.21 533.64 680.69 1196.15 478.52 3978.25 7247.8 6514.94 L-Glutamic acid 9011735 8942798 7607477.5 8439083 6656837.5 7990444 8456744 6642425.5 6712710 3285033 10087147 4486596 7119485.5 10480151 3680796.25 14340593 8486897 6646541.5 6087528.5 7564679.5 7729578 5532352.5 8006218.5 6464123.5 10200056 6310505.5 12951183 20603756 17765082 19885930 16515904 18239254 14803695 17270382 16629011 13870648 19605682 12496884 16835694 16600427 14625747 19959690 18577720 17387226 14874620 14497808 12960784 10384435 15428752 12917803 16620655 15338999 39575.98 52091.66 10672.13 46378.83 39271.15 32184.2 34194.14 3648.61 80693.34 59016.45 24772.51 61817.17 49276.67 53521.44 121937.23 74133.55 52489.97 61705.61 113042.69 64013.29 71994.76 97435.65 5022.33 3987.76 8888.18 5787.47 8785.26 2227.11 1838.4 L-2-Hydroxyglutaric acid 5096.35 11577.32 3747.67 9604.23 6113.98 5890.45 15410.18 9356.76 20465.67 2372.81 16048.58 17615.52 26778.96 16598.23 9135.87 31735.03 31943.62 41867.16 29432.5 50117.32 30983.4 42606.96 59722.23 38467.76 43448.14 14402.26 14629.11 29804.62 19013.62 14326.29 18241.6 19859.09 11405.01 15815.29 20230.05 25196.21 19959.62 24744.01 43309.89 14390.72 9038.1 21563.7 7422.58 41815.73 22255.53 19405.4 5935.17 1864.9 26615.88 20631.41 18845.74 15160.24 30728.08 99042.25 13041.41 64050.42 25371.21 49187.33 49797.5 3278.86 117887.41 38624.21 19900.44 92760.54 29060.99 58193.75 114106.25 97072.9 128794.93 110073.77 112872.81 101721.16 121045.05 125877.91 2035.91 1532.17 3992.52 1738.86 1784.69 1190.95 1367.63 Citramalic acid 997141 920419.31 646148.94 773810 781573 763841.56 849157 678939.56 584538.62 550485.19 959144.31 801663.5 713152.44 987671.06 492538.62 1711293.5 901712.25 837875.25 702390.69 783217.44 736474.56 711882.56 877902 792013.75 1123989.5 796360.19 2436634.25 4419961.5 3021076 2200928 3661111.25 2015352 1861812.62 2341255 1820363.62 2979307 3546904 3001810.75 3408946.75 2112359.75 2637463.75 2068921.62 2214692.25 2622005.75 3381029.25 1791068.38 1425714.62 1076427.5 2298604.25 2814335.25 3566933 2881479.25 15408.63 13668.52 11800.02 12082.1 14798.97 12135.45 10958.33 10378.61 13680.45 15006.97 11577.88 10984.15 12132.44 11970.88 16667.62 21390.84 17104.14 13952.22 14487.39 16108.84 11700.45 14145.82 8933.21 9574.93 8858.04 9918.74 17114.65 19928.64 17575.79 Cinnamic acid 355651.12 324559 211633.31 291920.88 294045.97 236547.42 214113.3 255396.56 227391.11 201375.89 319227.91 260752.39 388536.66 262010.44 115549.29 479764.47 306719.91 409480.34 247220.05 547591.56 291820.41 399416.09 376878.62 304265.16 432865.47 213908.5 266010.47 280100.25 211890.83 266385.38 293397.47 208234.69 142163.19 275779.72 166137.69 308351.91 227228.08 252880.62 339034.03 147265.8 157502.11 201310.56 180839.05 347311.41 208860.94 274703.88 144689.11 170233.45 273233.59 222974.8 247273.23 164270.3 33449.93 36317.9 9884.45 37296.31 35995.05 24211.21 18790.97 1428.01 43140.22 32539.26 16190.8 31957.09 43579.9 25883.44 43054.84 47230.32 42902.8 62184.13 51145.59 76213.96 43416.51 65124.96 3663.47 3576.76 4478.57 3171.37 1128.09 312.3 548.36 L-Methionine 240167.83 276415.97 259989.05 308445.16 231820.64 272741.41 192707.94 220287.25 297740.28 141113.86 241939.27 149657.8 204195.17 224185.64 116506 292818.12 254477.27 193348.62 166478.48 780661.31 247980.94 180388.44 330931.91 258036.95 360038.91 192905.83 155915.52 225305.05 235569.42 263563.88 237517.69 223657.92 159754.45 212851.39 225492.12 232479.98 176468.5 155916.17 172437.92 157207.83 150334.11 138579.7 196625.5 179202.88 151728.05 494740.41 150762.17 79993.44 252944.02 199993.14 272815.12 170306.78 16244.34 25277.17 7073.42 30711.22 21849.28 20693.46 14531.42 0 41880.21 18564.62 9013.16 14128.2 15429.64 18665.81 31126.98 26090.45 27008.77 26750.08 28377.05 98795.91 30375.86 29052.52 1461.29 1388.4 1683.99 1433.4 0 0 0 D-Ribose 115946.4 142503.25 131778.58 158789.64 53838.23 181632.31 203941.98 42270.05 83746.21 31022.49 153182.95 137173.23 81089.66 74531.9 58998.7 160927.42 100830.74 179574.81 113247.34 153964.73 142987.95 182619.2 131259.58 65639.48 285053.59 137645.62 53990.94 276425.66 224237.52 201656.23 58266 123060.16 123900.54 115804.59 89272.4 69404.31 87445.2 86801.82 66878.88 46774.77 45791.68 100788.9 82284.5 276313.5 91522.12 50841.81 90848.82 50160.17 81958.77 63013.12 121042.78 74766.54 42138.22 137161.98 51000.77 96291.95 35682.88 101962.7 90735.3 9108.24 125865.35 79236.16 31728.3 87151.62 59683.84 71705.51 122864.84 105342.77 150610.45 168354.89 184864.45 127941.82 180111.75 138016.95 10140.95 8921.93 10067.17 9580.74 11041.58 10579.88 8473.39 Hydrocinnamic acid 3654.72 4995.95 3870.08 10566.1 6472.86 7874.84 6642.26 4154.79 11139.03 10683.56 5546.95 5371.96 7949.78 7371.2 34332.91 9803.95 8461.03 9901.79 8826.08 2909.11 9277.21 11843.25 5114.98 6860.28 7708.02 6455.6 8608.26 7297.17 9739 9193.65 10570 6792.98 8100.28 7924.15 10006.25 8232.62 8873.57 7357.96 4537.91 6177.66 28645.39 7160.87 8005.47 5680.97 7705.94 9092.59 10830.6 8612.06 7110.98 9031.12 10264.39 9830.3 92118.52 81753.49 12244.32 76801.13 96121.99 52341.75 68859.73 18599.59 114277.73 49351.97 32979.36 71998.03 74580.09 101403.04 117040.44 117694.68 66729.79 75231.66 109036.47 67368.3 149415.33 137821.72 4981.88 4389.33 10174.39 7579.36 12027.71 10400.66 10726.04 2-Phenylpropionate 83747.6 74700.41 80866.74 91370.16 63870.17 85974.66 84143.24 65898.48 59823.8 28919.32 119390.04 88399.65 89122.05 85686.55 173946.17 75246.49 78944.59 73771.34 94392.84 86699.68 98754.38 100663.27 80902.22 85392.02 78257.77 88516.49 107839.53 96377.79 81837.84 83168.09 100406.48 67528.01 63319.13 78810.01 98614.79 102372.41 86592.37 85709.42 78578.41 50407.14 159041.67 79913.23 60682.89 72068.79 95661.93 50751.33 43599.18 44463.68 75499.02 97526.43 108411.54 103085.84 24669.57 27463.16 9275.68 29814.01 34953.48 21944.63 19186.33 11703.73 45033.67 19145 17031.11 29975.88 25262.71 32584.79 61606.5 49057.31 41968.46 39711.08 49948.01 34977.91 51970.34 58636.71 1439.68 1308 6380.64 3017.75 12854.72 4744.75 6494.1 Guanine 4331.63 912.33 1482.67 6595.45 591.25 1564.93 1925.15 1949.23 2993.06 625.05 10011.78 1420.38 1171.05 3497.26 516.29 2540.2 1354.92 995.37 2748.28 2115.46 3511 3101.36 3389.83 3820.09 5284.69 421.09 3606.72 11759.52 6079.27 7314.07 4670.43 1856.11 1453.95 4003.57 5270.99 6418.16 4914.51 4856.03 3312.6 1402.42 775.22 3309.78 2973.16 3234.09 3270.21 701.62 436.32 454.23 4451.87 3401.19 12998.7 4275.42 270.06 851.38 372.51 258.67 238.57 261.56 205.24 212.29 212.92 495.54 422.21 191.45 216.96 196.94 0 187.77 227.93 471.54 0 227.01 299.2 278.73 213.02 247.19 217.45 211.48 259.19 0 152.08 Xanthine 282293.16 341489.16 148545.48 394999.5 124794 188216.19 143920.11 54464.66 75859.05 17636.42 515956.84 367753.53 67549.62 122653.48 24108.65 243077.39 116421.37 86246.24 95382.96 112207.82 122562.12 93891.85 302011.5 103158.6 592224.44 93794.18 512822.59 643445.44 492301.66 518341.88 405099.66 118018.09 87780.34 294999.44 205500.52 430994.97 364087.53 438461.38 160792.39 55293.66 36762.75 165844.2 94384.94 163156.83 135006.06 26220.27 46225.64 9654.58 321584.66 195866.88 458837.34 116236.87 2060.51 8725.7 247.04 5601.75 291.49 461.66 204.29 272.96 418.67 774.1 406.15 1224.65 248.97 3340.62 250.57 252.9 8673.79 205.68 282.47 245.46 542.46 328.46 196.15 253.03 350.29 220.74 282.5 203.25 180.16 Glycerol-CH3COO 121936.09 103564.32 135734.95 89830.84 131909.52 116727.06 138238.95 120212.1 126808.21 99261.12 108397.02 94106.07 59280.72 90438.3 49894.71 121213.22 78564.29 73766.78 73430.83 72796.63 81166.06 63483.79 95117.26 87512.05 142181.86 64159.71 101320.45 77247.54 94530.1 71467.54 108475.34 60346.28 106969.31 76355.55 77193.42 123502.96 69641.59 67452.18 46474.5 39449.31 42066.28 62637.67 54727.75 61627.51 59572.61 40715.86 50574.51 37961.52 58446.56 58761.05 91287.59 52627.76 19995.14 11520.3 10398.86 13480.25 24694.5 15542 14276.08 822.74 26624.46 13272.26 11223.77 14291.94 7896.52 11027.57 16035.36 24077.92 16439.67 10134.71 19596.4 11019.18 17771.6 16073.47 2223.81 1572.49 3788.25 2258.34 821.36 1265.3 1262.32 Ribitol 128432.88 167611.17 123997.93 142178.25 92239.91 123481.68 110859 102487.02 118351.41 54675.11 92923.3 110179.34 78671.55 113021.96 35200.68 164065.52 104467.78 78075.32 74885.88 117093.09 95746.71 77454.71 85133.31 74826.18 115008.04 69675.43 62766.69 114002.62 83361.51 82568.66 87794.25 72242.18 86540.14 73155.8 85920.56 87727.54 67542.35 95282.9 71577.02 81372.04 60119.24 88938.41 85891.34 77333.84 66510.9 68474.19 66235.77 49220.84 81376.41 75344.18 101668.09 93008.94 5695.34 9814.51 2072.95 5371.22 6568.47 3428.38 3256.33 823.51 6024.97 4241.09 4253.27 6049.06 5134.43 5119.58 6523.88 5324.63 6480.42 9038.47 8673.93 6967.09 7368.95 6360.56 1048.02 1046.64 1437.01 1006.61 1057.47 719.73 1225.06 Gentisic acid 4608.91 9207.94 2046.33 3575.02 2768.32 2776.22 3499.78 2069.76 4166.68 4686.32 7619.6 2308.57 4861.99 2421.76 2840.66 9462.49 2651.71 4363.86 6580.81 14266.88 11485.53 7560.22 4066.24 5292.84 8454.86 5304.31 10868.41 10371.01 8906.54 7808.5 8896.98 5809.25 6609.82 8495.57 3802.42 5945.27 9030.07 8736.68 5201.21 4314.29 7683.43 7026.18 6989.07 9671.45 7168.5 12478.73 9742.06 3747.04 7286.09 5269.91 11526.55 4295.89 2323 4522.72 1526.16 6840.63 2414.48 1438.34 4770.48 6398.71 11003.48 2917.18 1848.03 1901.33 8381.31 1869.23 4432.67 8938.59 3244.76 9497.1 4973.73 28241.07 34752.38 3396.38 792.31 713.18 2770.11 715.49 2592.57 3874.3 1323.08 Dihydroxybenzoic acid 3672.13 3403.03 3432.31 5411.19 2502.81 3260.84 5847.78 3341.29 6125.84 4686.32 5408.83 4477.8 5607.98 4158.49 1330.54 9462.49 4872.27 4708.62 4002.06 14266.88 11485.53 7560.22 5440.6 3889.08 8685.62 1804.79 5637.18 9483.01 5137.79 7810.08 2976.84 3465.89 4849.43 7140.2 6839.39 5059.2 5374.16 4935.68 8238.02 3644.12 2796.96 4502.7 6989.07 9671.45 1848.88 12478.73 9742.06 3747.04 5803.96 2114.17 11526.55 2476.58 2185.63 4987.5 1542.06 6840.63 2637.74 2854 5776.43 614.47 11003.48 3061.5 2763.14 3530.3 8381.31 3956.36 4010.55 8938.59 7872.63 9497.1 3465.06 28241.07 34752.38 7853.76 944.05 992.61 2770.11 775.08 1168.61 1197.2 1190.69 L-Histidine 332375.34 292356.78 266371 340461.12 254857.06 279583.44 268520.25 257809.8 216174.08 159439.64 277097.59 361110.34 413584.72 470886.09 300698.56 519007.28 344820.62 377655.59 358671.84 367695.34 390859.5 417068.72 297365.88 355155 422465.5 377024.62 19724.64 20978 20568.27 26674.56 24257.49 11745.75 10834.71 32156.07 11471.1 35945.97 29867.45 34899.37 23159.62 23911.14 9408.94 20322.6 15417.36 26984.75 23638.03 10303.9 9421.12 9583.46 18388.19 29605.61 34849.46 19824.6 361.99 361.16 239.65 356.23 245.67 0 248.98 176.74 205.16 0 0 0 0 0 388.18 0 164.85 391.59 181.34 0 0 0 0 193.6 0 0 432.06 0 0 Allantoin 2052318.88 1986241.38 1520574 2408662 1682237.38 1726560.62 2372082.75 1904105.38 1354502.88 1420548.5 2868058 2032371.88 1625503 2225733.25 1012038.56 3661082.25 2538230.75 1741257 1662418.62 2248973 2171983.75 1969738.5 1546110.38 2006129.62 2657342.75 1704443.12 1998992.38 2335191 1654101 2386808.25 2037011.88 1584614.88 1993203.38 2469041.75 1341813.88 2369849.75 2362009.75 2002862.62 1693334.88 1742343.12 1617911.12 2612551.5 2378574.5 1832982.38 1847289.5 1560341.38 1611334.62 1165942.88 1706298.62 2091793.62 2064510 1491095.88 537980.06 507267.16 139535.17 623476.19 581716.56 353076.91 469266.59 1026.71 476432.53 643887.19 472864.03 468240.09 290643.16 542610.56 813878.69 959554.19 798973.25 619077.75 625191.81 445981.59 678737.81 570379.81 64550.56 66465.15 81538.13 79188.91 409.15 252.65 714.81 Indoleacetaldehyde 3826711.25 3098497.75 2146278.75 3140323.25 3760340 2211895.75 1732269.62 2284481.25 2377147.75 3048449.75 4018295 2591256.25 2959138.25 2233430.75 1243931 1651668.38 1937044.62 2634925.25 2279574.75 1790117.62 1492370.38 1922577.62 2727455.75 2242211.25 2052505 1833008.12 2519235.5 2099962.75 1400966.38 2066189.5 2532904.75 1447906.88 1389064.12 1702466.62 1936762.62 2338844.75 2929594.75 2030628.12 2405300.75 2118894 1922356 1606419.88 1952753.38 2375324.25 1813901.5 2642505.25 1757501.62 1543853.62 2615837.25 1896955 2010268 1641107.88 4077642.75 5123365.5 2368051.25 10904856 5142100 4836428.5 2492298 94860.16 8957611 3466747.75 2807585.25 5987242 6037132 5987042.5 6461060 6558813.5 6790345.5 9513132 6293412 6582400 5389200.5 3944677 665926.44 347656.91 671643.31 298076.66 233.16 170.02 142.34 Oxoadipic acid 18517.47 58537.5 14319.68 39439.82 75404.59 22005.52 10280.51 14640.3 23576.21 10452.64 16757.4 13607.7 16281.18 13711.02 7591.05 29979.17 25881.95 28057.25 9735.36 30130.65 5966.62 11648.69 11913.53 23274.07 24504.13 16170.18 7256.02 69429.3 8800.34 25842.45 31309.75 5163.36 12281.77 18912.6 11155.49 11881.7 6933.63 15641.3 12649.68 43980.25 34815.37 35369.1 39318.47 53826.12 8191.75 60331.85 8846.14 6936.69 8777.82 21000.07 9342.27 7430.17 12860.29 13655.99 3576.23 11893.01 56585.78 8376.5 8676.12 822.74 8993.68 10006.03 5612.98 1512.65 23470.42 2088.56 11894.31 9786.89 2465.29 33485.18 3198.67 22967.82 8111.96 7071.2 2350.4 1495.09 1544.18 1496.5 1349.8 1091.83 1506.07 Tryptamine 5232.96 5695.29 2655.88 5539.19 2988.67 2498.2 4449.71 1781.87 4034.29 660.75 6657.43 4049.89 6113.04 4101.89 1621.58 7140.62 4456.54 6926.58 5027.13 7118.33 4890.27 4311.64 7007.9 3705.14 9398.87 3170.67 5218.36 6181.53 3876.11 4904.07 5465.95 3200.52 1505.07 4228.48 3796.18 5497.78 4615.65 3346.82 4379.69 1304.4 594.61 2956.35 2107.62 4596.66 4069.86 1482.26 1115.89 276.55 4757.7 3288.54 5213.68 2024.9 271.86 242.41 243.4 200.83 213.62 204.05 0 217.96 206.18 216.17 241.17 172.71 204.74 172.1 195.85 182.7 174.98 168.41 179.29 365.09 404.34 346.13 166.62 183.41 144.96 234.94 208.51 176.49 333.85 Hydroxyoctanoic acid 127672.87 80948.85 84574.88 106303.94 104143.04 115360.15 77969.8 110830.16 78679.29 140247.31 103901.22 102386.69 22190.27 111756.99 68927.16 167014.08 118439.65 80930.34 96055.05 46049.96 119496.46 69936.78 117176.12 98572.96 172107.38 136414.42 258670.89 98411.54 71267 58699.62 259830.89 47033.82 28088.85 138112.17 61726.82 252077.17 103539.6 197321.38 22931.14 40244.36 51533.34 66115.01 37797.41 55195.65 116482.74 21171.47 33850.28 19228.3 89933.71 120896.38 201822.36 87368.65 78704.26 59715.96 17651.17 54117.11 112986.25 38539.11 37772.61 13124.8 50311.06 49324.42 29178.64 40631.57 24134.65 47626.52 60127.33 50529.05 40443.39 24860.94 59606.16 25212.78 76267.9 40589.48 6056.28 1965.46 14873.49 10930.36 16663.97 16664.22 16019.25 Indole-3-carboxylic acid 40959.89 29370.2 26930.67 36655.46 36002.65 20121.15 31785.8 19664.05 17154.73 32135.1 61869.47 39276.71 34765.85 32548.98 22935.71 26725.32 22181.7 40154.84 21982.9 31060.9 32393.26 26961.17 25394.78 25684.95 26791.89 16642.68 27216.92 22163.56 22373.22 26171.86 40589.72 20393.58 16580.64 28061.85 33617.68 33645.12 34224.15 28790.45 27811.96 17264.56 16006.53 19165.24 17637.81 32705.42 24216.69 22297.88 18256.26 18220.06 25927 27230.64 29067.13 31064.22 51305.28 99763.71 30989.76 95400.75 46891.75 50451.34 38500.57 1488.2 77531.6 38305.27 28666.24 53086.12 67149.76 42531.59 84208.25 86420.6 71136.96 67732.04 43129.07 114502.62 87437.96 77117.48 4570.88 2495.19 5971.99 1557.64 513.76 174.86 736.72 Aminoadipic acid 116133.27 147232.27 102872.02 140089.89 132676.83 121677.77 142473.75 107797.05 100988.24 57080.08 174620.42 128593.53 103847.87 112054.31 64372.19 228512.86 180342.73 123888.18 108499.85 142509.78 145036.88 106943.29 128171.9 112463.34 223156.42 105609.48 100185.55 154737.05 108724.41 131668.84 120145.81 84686.01 72117.33 118998.32 67729.99 88571.59 115966.56 77696.21 69393.55 69139.32 55146.71 90387.51 94855.23 94822.91 66834.22 64319.44 57919.26 52412.86 109814.85 82681.54 122498.54 59544.11 14778.96 18325.38 4537.56 16864.85 27429.44 11492.16 10140.98 510.19 11951.24 11997.73 8836.76 16763.09 12833.92 11169.98 27567.52 19029.17 22977.62 21052.16 21561.38 29101.7 14867.27 22249.98 1512.28 1910.12 2263.92 1921.71 1288.89 911.83 584.37 2-Hydroxyadipic acid 163092.55 126553.32 123385.25 154484.59 99563.56 187981.42 208075.5 112022.84 198153.77 65857.87 159126.52 150872.14 197127.45 216024.86 132624.11 255887.45 223396.8 155945.33 188793.12 204881.45 200534.45 170384.23 246794.83 180093.98 366475.91 177285.19 231151.83 309626.75 209361.75 315875.75 207842.11 178935.05 167101.89 170041.69 158118.81 214649.8 187720.75 305838.16 199421.73 681096 152148.33 152687.08 251866.98 183139.06 248787.5 134287.8 101784.59 135012.11 303155.91 212357.67 324356.03 291852.81 10282.29 14869.45 7606.44 9409.91 9323.34 8800.31 7862.34 5324.92 175147.27 10069.03 9628.08 9417.67 9846.64 8799.81 10826.47 10390.58 9573.76 10316.04 10670.78 12351.58 11296.48 11030.47 6703.05 6750.49 6551.46 6985.95 8007.21 15648.63 14339.8 3-Hydroxymethylglutaric acid 1042704.25 1175509 1086527.12 1226467.62 649093.62 1312289.5 1493982.88 540478.12 809716.31 440547.34 1298764.12 1228622 839425.75 789559.19 652445.62 1392662 957699 1398014.5 1041199.25 1258752.38 1181277.5 1354728.75 1154548.38 696406.88 1924477.5 1213007.62 700407.31 1808749.5 1547163 1524924.12 727570.19 1065897.12 1030502 1025582 827725.69 776158.69 869460.25 702571.56 709434.81 588174.25 522518.88 893621.94 839086.31 1942643.5 837423.56 549352.44 807274.19 548569.94 783123.31 712709.75 1053996.38 758997.81 411300.16 995049.56 470140.84 776351.44 375930.53 832878 784824.5 32415.2 950184.25 695481.44 338821.53 741280.31 535837.56 635248.69 918697.94 838646 1022025.75 1088962.5 1182042.25 913161.94 1154807 1007322.31 62316.54 50670.48 123791.37 65026.73 50641.19 11754.57 12535.72 2-Deoxyglucose 2668847.75 3439904 2922725 2736044.75 2814413.25 2731745.25 2783304.75 2601045.5 2496012.25 2644292 2852663.25 3012804.75 1727096.38 2084070.88 1362559.62 3434722 1867175.62 2908129.25 1939445.12 2609912.75 2672173 2185242.5 1601576.38 2158346.75 2532933.25 2995646.75 2320873 2466897.75 2364236.25 2280765.75 2412618.25 2197799.5 2023427.62 2282410.75 1834814.62 2400230.75 1931829 2694785.25 1618146.62 1576165.38 2059978.62 1853233 1549546.5 2231834.75 1828445.5 1959222 1986080.88 1503473.12 1545380 1957966 1904241.5 2137994.75 779093.81 968278.06 422946.84 812275.75 847914.5 888677.5 619421.5 7734.95 925496.06 734942.5 523615.5 922076.69 595195.25 540912.88 1058968.12 818501.69 612221.06 831292.75 844035 880318.69 907266.56 887427.69 72261.97 99402.53 117927.29 173799.89 7500.62 7711.48 7538.05 Phenylbutyric acid 170322.55 174801.27 198148.88 186802.11 184379.92 212557.95 227432.17 197092.62 231926.8 51088.71 155438.39 185961.95 164733.83 137189.31 188830.56 176505.92 130088.09 194979.17 141156.17 162437.11 154343.45 160085.28 143864.81 133176.36 222888.12 172526.3 156871.36 205791.08 245568.11 141302.2 203115.44 170719.25 155046.3 165632.45 138571.67 139508.14 162712.11 155128.2 176800.48 135021.19 124428.91 136217.05 143332.5 162041.83 163469.08 87222.31 91954.84 79161.09 149853.11 148250.27 150112.56 165223.83 204661.27 251606.45 70402.91 201190.02 233209.3 88954.79 105103.9 51960.16 163380.64 98626.26 117151.4 163642.19 197099.44 274795.62 410799 457521.16 241199.2 285865.22 412504.34 407476.84 667965.69 389058.84 11486.5 14668.59 44513.24 31221.37 42616.64 47349.27 44409.47 Methionine sulfoxide 7809.35 8194.11 17192.5 13562.98 21447.4 5687.38 8917.61 5378.43 8356.54 8638.28 8893.83 7076.88 22164.57 6905.13 8748.47 9615.38 17791.92 13884.64 12773.2 43162.11 26427.22 12713.37 6397.91 18605.58 25830.47 17632.34 10004.13 15848.49 11690.3 10603.66 12251.53 9967.57 5194.07 8328.68 7792.45 15048.03 6638.61 7941.74 19308.58 10670.27 12681.23 7072.87 5467.15 16305.59 17170.19 32728.45 4083.57 10814.76 7938.15 4709.33 7726.45 5796.85 1836.68 1693.34 912.14 2905.88 2723.46 2042.94 1448.58 209 3999.64 1698.95 1160.77 1406.1 2383.99 1655.92 3485.89 3218.44 3186.76 2549.08 3322.7 12037.75 3308.77 3196.51 469.6 175.79 351.77 596.83 591.26 160.37 139.56 L-Phenylalanine 2039212 1893446 1212100.88 1764220.62 1646453.88 1357786.62 1271989.12 1520886.62 1324346.75 1170418.38 1800323.5 1561085.88 2324892.75 1519775.5 730561.81 2781023.75 1814507.88 2347066 1489023.12 3134719.25 1726405.38 2334496.25 2205393.75 1810514.38 2543654 1297162.38 1534672 1649735.38 1272966.88 1574846.88 1698324.62 1180647 850120.06 1595445.88 1025864.69 1801664.62 1353067.62 1459131.62 1975303.38 915928 949661.81 1177430.88 1093129.12 2003071 1222084.62 1625774.62 885917.56 1028559.31 1566325.62 1325979 1457333.62 951971.44 230811.39 238400.33 79792.66 263246.84 246659.17 178180.86 139717.08 7365.47 268953.91 202097.98 117675.63 220321.95 282548.12 169931.11 283675.31 301752.56 270377.12 400552.12 323796.78 463426.59 285231.78 394656.09 21758.84 18075.89 25519.55 18156.8 1867.62 929.68 1037.02 L-Fucitol 207336.11 185587.92 117908.46 168559.62 161741.62 130327.59 127607.53 145791.88 123776.35 113648.16 176276.45 158157.41 228204.05 148668.05 66956.77 275947.06 181983.58 237968.62 141505.48 327820.47 171988.12 223755.95 217020.67 178375.36 259235.45 128831.41 147716.42 158594.67 120028.91 164668.98 168456.84 117573.94 80985.2 163382.52 104467.41 183604.25 137766.36 141243.42 197961 90965.03 94636.63 116138.44 109767.02 201532.45 117859.07 160556.83 86714.84 101515.88 161855.69 131961.95 148275.09 92437.4 18927.24 19477.87 4603.57 21172.16 20519.43 12537.37 10425.02 1311.24 20819.39 16746.85 7928.35 16728.73 21795.44 13896.98 22810.49 24837.9 25147.93 34894.85 28247.55 40529.8 23651.34 35131.28 1547.77 1601.28 1745.2 1490.11 1303.53 1274.36 1624.83 N-acetyl taurine 109328.4 101929.56 113432.55 97282.38 192001.38 117268.19 90778.48 163028.67 100745.7 187127.69 67814.95 59616.18 44965.96 75060.93 38111.93 143309.27 78436.59 45718.5 55954.83 63782.53 86803.88 48358.94 85718.41 65538.34 160225.81 84166.9 96236.04 75129.82 62364.57 60868.16 103775.76 65096.07 83011.18 88724.66 60810.57 99470.85 72437.85 101292.46 53689.32 76396.76 62176.94 80833.77 62371.55 49602.96 59153.64 69217.95 115322.37 63610.52 83834.25 63197.54 104853.96 62372.18 58146.93 61169.39 60589.73 43221.57 49004.09 56707.89 54637.99 59646.57 23548.27 47152.03 62126.36 48564.26 377.78 43114.38 44176.71 40682.83 64892.61 20039.49 43765.47 24688.1 60601.33 20288.63 62384.7 63654.14 61379.57 59173.16 63062 55033 53261.99 Taurocyamine (Guanidinoethyl sulfonate) 785466.75 1019107.69 583078.94 801169.5 1061937.88 767244.19 1183308 821447.19 688779.19 1156722.38 1301642.88 1244928.88 972265.06 1025766.25 667833.81 1607339 1522101.38 1113793.88 934910.69 977952.75 1036119.75 1081087.5 673252.31 1243686 1631669.62 1103145.88 1038807.19 1245668.38 688826.56 829528.5 1246041.88 825848.5 1156061.62 1049002.88 733488.75 1610405 1422100.88 1501680.88 1087422.62 1082626 1093865.38 1265377.88 1454684.38 1223614 1089945.38 945973.19 954539.81 926244.06 744884.56 1347476.38 1401127.62 1264596.62 7009.52 5531.1 733.73 4442.16 8015.73 3964.63 6452.3 195.18 5541.26 8453.36 4539.08 7653.86 4204.44 5209.97 12513.51 11495.82 11246.07 8297.19 9802.46 6812.66 7150.75 10854.08 230.76 624.29 1031.35 1190.02 308.89 0 160.95 Phosphoenolpyruvic acid 57408.69 112774.09 43153.12 62415.56 66467.75 118805.03 91009.32 37948.87 58842.75 13967.76 73643.71 56204.78 72934.85 79918.76 48529.16 131078.11 109764.56 53740.67 64447.01 95265.9 53072.52 95677.7 118461.75 43043.82 92981.94 87483.4 17729.33 57876.96 70512.28 37123.25 32869.39 29890.84 45506.29 46643.1 39817.05 31802.24 34477.74 32039.49 47853.64 20359.54 16779.05 39020.73 21754.79 45976.17 36819.39 28600.75 24330.78 17192.87 41173.96 44177.86 34009.43 35178.67 445.33 280.15 301.26 297.65 0 367.84 240.53 322.13 455.82 455.26 215.42 585.91 271.32 0 389.14 365.93 244.28 598.77 426.23 250.46 631.31 418.33 246.74 218.65 262.93 292.15 302.04 321.64 648.04 Uric acid 2196.54 2686.38 1203.39 1459.26 2833.64 2967.97 26149.81 3372.46 2893.13 3310.54 10120.19 4974.1 3010.27 12163.47 3332.51 59150.86 14583.42 17075.3 2410.66 25428.3 65214.09 16394.5 43391.2 5375.99 183630.38 30167.88 42000.88 85602.09 86141.85 62706.34 77334.52 12913.56 2111.58 124099.25 22868.73 76930.01 44609.25 103937.73 11733.64 2689.22 3425.7 8722.86 1990.15 21533.85 33168.26 3136.77 1676.92 3074.16 10033.81 24438.81 86702.15 13641.26 2812.35 3189.56 2640.39 3838.83 4643.35 3061.23 3387.95 2221.1 1615.05 2280.72 2618.91 3291.47 2959.22 2729.01 2421.76 1951.2 3535.68 2905.04 1521.32 1954.9 1737.77 3880.77 2439.52 2359.12 2409.07 2240.02 2390.37 2298.78 2544.57 Cysteic acid 50610.57 32048.88 11250.57 41901.11 11604.28 33497.1 68513.67 9245.51 30525.18 21519.32 15942.86 11605.66 15473.9 2517.98 2358.11 69602.98 22144.71 8712.52 11161.01 18132.54 32892.34 32692.19 20572.36 18412.44 17344.17 8040.77 33236.77 10589 41439.71 49653.18 44076.89 46347.93 43382.32 30131.41 5417.66 28831.58 14683.27 6660.74 19590.61 28154.73 31461.71 15008.85 25028.91 9368.97 9771.85 18521.43 1457.95 13736.92 26525.3 13078.88 13510.41 17865.4 230.76 164.3 252.42 263.24 186.69 276.36 347.7 326.88 264 888.08 229.69 194.1 242.95 195.41 389.05 271.18 376.36 261.51 246.75 226.26 210.66 169.29 179.65 200.45 207.08 196.72 271.01 147.58 2178.33 2-Amino-3-phosphonopropionic acid 7880.69 22886.13 22117.63 3907.3 5340.13 17882.49 20149.38 5710.89 15655.61 7774.48 4402.09 3932.84 17724.83 24142.19 14027.46 25358.1 18493.71 8364.11 12266.82 13723.43 11676.18 9580.81 10094.96 12519.17 12348.38 5338.99 3203.83 6595.48 12203.64 3364.73 2846.05 7380.17 7946.23 5461.78 5372.27 6384.33 2866.73 3125.68 5579.14 5326.76 8449.44 2754.95 8155.36 5755.2 6445.98 6458.93 5194.07 4093.15 7348.03 4557.85 3691.9 2696.22 213.91 222.46 265.42 242.05 322.19 173.09 204.34 305.97 401.13 188.94 204.16 238.69 306.7 757.81 293.52 242.76 153.48 193.05 244.46 409.53 181.34 247.08 222.06 203.65 344.75 261.9 274.67 224.05 253.65 Methylhistidine 663992.88 583356 625364.25 656708.81 503356.12 548615.31 603080.5 554030.94 428080.66 298695.97 635230.25 679221.81 990822.31 1006246.56 745767 919105.25 760873.94 902458.81 802348 834625.5 869288.06 906490.19 716239.81 818415.31 988940.94 858417.25 142465.56 128058.31 102294.94 130525.43 152275 94694.06 79098.21 161312.5 52045.64 122502.84 129859.15 137123.05 108498.4 93864.98 79031.62 80243.16 67706.68 138896.66 108692.9 50397.95 39694.6 51032.33 81952.31 108085.37 99681.45 109260.22 9819.86 9452.65 1865.22 8508.81 8159.2 5236.5 5172.63 662.39 6788.34 5658.23 4029.29 8059.63 5695.27 8880.35 12279.05 9385.8 9228.79 9323.12 14442.16 11013.13 7256.56 11650.24 1334.64 1255.8 613.97 1361.16 1009.72 163.59 272.45 GAP/DHAP 482652.16 860434.56 738894.31 438041.88 491296.5 715410.56 714808.31 377719.16 466341.28 316140.78 519977.03 503452.72 642117.56 649919.69 503302.41 712753.69 568188.31 579226.31 571242.31 887067 543801 739425.81 785499.06 486273.38 807350.5 511462.38 138645.36 494182.22 624046.69 300010.88 146528.41 272227.62 338891.59 301229.28 327338.78 250628.14 269764.47 272822.09 350639.22 158289.27 169817.33 307636.53 164026.89 411265 303309.91 272830.72 259338.61 211797.05 330120.59 291338 347788.41 323995.47 787.27 467.52 459.66 658.51 376.93 671.71 737.17 612.5 628.22 569.83 509.54 446 430.08 576.66 392.58 856.18 485.68 958.03 464.32 1084.4 380.62 731.34 447.86 711.86 837.66 670.68 680.08 474.5 802.43 Glycerol 3-phosphate 22002410 26425958 15727900 20102634 15124781 17370688 19521734 11260891 13112599 8994296 22430944 20433192 15393500 12921307 7341934.5 24880032 16689344 15973771 15676857 22345006 18417706 20643666 20314474 14602829 26546184 16602704 7469880.5 10490747 9738281 7566836.5 6484251.5 5187334.5 7565580 8092789.5 7042690 9306792 7465592 10832163 10003003 3637842 2928512.75 6463850 3391325.75 8464809 6259942 5088072.5 4425367.5 3584609.25 6956433.5 5548831 9107429 5264922.5 10589.96 12879.94 3402.5 10340.24 15745.92 7748.69 8710.2 979.31 9493.68 11699.47 4407.79 14370.63 7740.2 10717.62 16247.29 29670.55 20077.19 18962.31 26558.33 16827.34 21674.67 17817.06 765.77 1108.75 2369.17 1330.23 7074.32 567.09 595.12 3-Dehydroshikimate 407726.62 403873.66 423623.97 446469.78 415579 401670.38 450607.66 388142.84 437529 394170.88 432719.41 475387.28 399257.97 381373.41 307263.62 392879.91 383180.41 422143.03 392574.59 413857.16 437836.5 415761.16 378539.22 403092.5 437522.09 440095.16 335229.16 419857.12 357049.88 369616.84 302857.81 270723.66 316064.41 365314.66 343662.88 358944 302500.28 414963.5 321343.91 269434.22 241893.17 331826.28 282834.88 342549.97 291577.72 319995.91 378204.41 282138.59 321753.03 303280.66 401817.72 304665.47 75993.88 88485.06 32772.38 108100.19 86339.15 73742.16 95741.97 1301.1 152995.22 53412.17 28534.91 102377.1 81423.25 83299.68 162323.27 157165.2 127116.85 103220.51 160040.14 161154.58 122083.79 133052.94 2941.25 6392.09 20759.29 19725.66 767.71 1674.78 1083 Glycylproline 7376.84 4003.74 4400.77 4652.93 1720.6 11114.16 21277.73 5509.41 2792.71 2032.07 2851.84 3403.8 8909.25 5725.96 21513.34 26686.58 3187.95 5747.11 4980.95 8682.89 6685.9 9083.98 34675.05 17507.04 8928.75 2137.04 1243.63 629.74 1570.98 2155.75 9437.67 3624.3 746.56 3906.16 1024.43 2296.59 1321.17 2869.1 11406.65 5779.14 1243.98 705.02 2102.4 3663.34 2763.28 1086.68 3720.4 5015.23 8431.95 14577.73 17285.41 10497.26 324.84 413.27 201.19 375.95 312.36 218.72 238.76 208.84 288.54 768.44 224.33 0 167.48 0 324.59 184.74 283.42 241.45 213 0 198.1 201.51 219.37 382.25 231.21 372.04 497.29 355.37 169.87 Hexanoylglycine 117091.98 107207.96 68641.68 111364.91 147134.11 74288.56 49099.87 97224 30007.92 30995.1 237949 82417.54 30175.45 84686.8 34368.01 151706.55 71704.45 85582.75 38493.03 62955.58 40946.89 26826.35 96960.84 75097 317029.38 86120.96 288568.53 695643.69 108306.25 228011.98 289002.12 72144.26 42312.51 171163.11 45098.45 239408.61 206259.81 182893.58 55964.15 99974.12 46581.16 209259.52 72581.8 321285.16 45808.67 32828.15 19674.37 10642.17 155431.94 120266.54 269273.38 59031.82 28713.41 16765.97 3934.69 19904.22 47632.36 9708.55 7447.27 2321.47 15008.39 19563.59 16186.89 15028.62 2252.72 20354.26 30628.06 52178.02 45656.67 38544.96 23752.84 16325.93 10186.49 11395.79 1400.44 968.07 1928.26 604.76 1820.05 802.85 508.41 Aconitate 598886.75 615802.56 752302.19 644683.44 537258.81 716231.5 1017551.81 583003.75 710563.56 339860.56 728836.81 656481.44 677751.69 953838.5 444651.97 1562548.88 811227 720342.06 596838.44 786268.94 834461.31 715219.94 879847 688968.44 1294213.62 643008.56 1240901.62 1709133.62 1401585 1303558.12 1408228.62 1048468.25 991439.81 1454951 1009130.31 1232710.75 1577794.62 1131098.88 1185913.62 1004886.81 888368 1267521.75 1015906.5 993996.44 1122907.62 759270.31 764088.19 682372.56 1358839.38 1068808.62 1535068 1200656 27802 29348.88 5785.28 25995.48 35221.73 34038.38 28341.49 3430.66 67057.55 29871.63 23666.91 30010.3 24964.2 25732.91 99029.56 71877.7 64430.49 33840.86 42193.5 54589.62 45378.57 74859.88 5730.25 3702.16 3768.65 3938.26 4105.18 1951.28 1436.72 N-Acetylasparagine 12885.33 9704.79 6591.37 8158.54 14148.09 7912.96 11313.56 4462.92 10975.13 7706.85 16411.33 8644.93 19821.38 20513.58 15153.04 28300.71 14613.34 20463.31 15764.02 7450.95 17232.36 12815.47 5897.96 22776.38 21367.01 29153.27 7762.68 10881.54 7837.5 19820.56 17389.06 5815.62 21024.71 20524.81 14937.38 15195.26 13249.29 17849.83 19702.14 20561.58 24936.57 19548.38 18069.73 25050.59 23868.73 14659.32 20225.48 18998.46 23709.23 30929.27 16148.24 32111.14 2682.54 3899.93 2127.82 3222.03 3682.1 2400.32 3119.78 850.77 2215.35 3052.89 2180.93 2320.8 2721.05 2566.11 4002.68 3803.74 3392.59 4011.16 3376.57 2807.11 2562.23 4036.13 1370.77 1150.5 1293.93 1208.68 2151.15 368.74 380.68 N-Acetylornithine 25294.37 29293.41 26265.14 28152.64 31711.51 18582.47 30841.29 26374.45 20057.35 21445.91 45172.64 29316.85 91988.34 66442.95 44167.54 112135.23 68839.21 32315.94 63754.35 24963.02 17321.69 34456.19 26409.35 70553.02 51621.98 61111.21 6358.51 21059.78 21349.36 21184.45 21630.46 8455.33 14195.54 19906.82 18005.99 35110.48 34286.04 23914.87 70234.23 27980.67 42544.65 40529.73 41526.3 15490.82 45642.67 11010.65 10135.51 13192.37 19114.22 45134.22 31110.93 35495.48 2526.73 2718.49 1010.37 2754.93 3833.37 1042.97 2174.68 427.45 2997.45 2379.96 2743.68 3022.51 6958.44 3180.4 9771.41 6452.45 6931.45 3385.57 10284.49 4898.62 3044.09 5437.05 221.06 285.17 762.85 692.65 206.58 0 204.29 L-Arginine 904705.5 936803.44 839415.56 850493.31 831947.44 954731.06 717133.56 664972.19 618919.69 446157.53 1152182.5 1102235.62 1116638.88 1178733 875824.19 2228853.25 1385265.12 1444623 843359.31 1033944.81 936279.19 1184821.62 1204935.5 1211453.12 2314503 1080609 1188885.12 1382146 1213008.88 1205728.38 1412366.38 998211.19 670987.69 1207762.38 652962.19 1608138.38 1466805.12 1508574.5 1201995.38 801565.44 766877.94 977907.19 858250.06 1590915.5 934006.19 487714.78 464047.84 492743.84 943933.31 1351359.62 1136887.62 1063002.88 41908.37 55142.41 18446.18 58629.63 37237.29 25362.75 26717.42 1584.96 31914.59 18190.4 21263.34 18692.36 25099.48 25071.26 61576.97 59334.52 54174.7 38341.41 34099.69 54435.39 40147.03 71631.68 4164.72 2856.65 4159.61 4260.94 2615.45 540.94 387.05 N-Acetyl-L-aspartic acid 2681419 2777586.5 2020756 2721916.75 1990442.62 2267308.25 2470863.75 1862910.38 2020194.62 1751551.62 2279581.75 3016852.75 2039393.5 2156864.75 1570493.38 5493587 2491681.25 2120748.75 2019624.62 3175832 2209082.75 2535030.25 2248647.75 1992614.12 2012606.62 2631342.75 1317256.75 1537154.88 1076852.62 1937585.38 1351111.25 2005132.5 708428.69 982776.25 897060.31 854922.81 827489.94 1340274 1178738.88 2554476.25 1136887.5 1069772 1720774.12 1330294 1160046.25 1092952.62 727605.25 1057049.5 1711215 853922.31 1073269.5 856235 12604.11 18011.86 5698.15 14100.37 14793.94 12231.48 18924.48 1162.77 24448.37 20466.91 10717 18127.73 11694.92 17576.25 31167.36 28629.92 25106.95 20181.42 26893.72 27613.86 20857.39 33059.14 1750.43 2527.69 2243.97 2824.49 1898.96 733.19 549.02 Indoleacetic acid 10506.63 9986.89 7816.06 9148.83 11395.11 7044.22 6343.32 5231.25 9633.35 14682.39 13332.41 6278.2 7603.26 6282.01 3843.8 7946.03 7395.39 5688.45 8110.38 8598.39 5633.61 7892.76 11466.06 7668.21 16782.64 4791.28 15516.23 20404.09 13988.13 15812.59 9758.28 9579.44 7399.97 14195.07 15368.24 15838.5 14703.83 10477.79 13796.61 8306.89 8624.35 10319.87 15650.66 10637.75 7056.02 16154.55 16292.95 18035.84 15920.96 13024.6 12437.15 7829.73 2120.52 718.27 471.5 2934.21 2011.74 5708.17 1627.26 275.95 4161.23 1228.73 1072.19 2097.43 4866 2413.18 5726.95 2988.51 3536.07 7054.85 3693.6 8377.69 6004.27 9334.72 773.95 605.67 1203.18 522.49 955.08 282.95 945.11 1H-Indole-3-acetamide 15352.72 10477.38 8463.62 4460.06 14399.39 3255.38 6618.45 10331.71 8441.31 6989.67 13706.27 7878.51 11521.01 7179.54 11342.13 5139.94 6028.82 9507.59 5317.82 2573.28 5390.19 2832.6 4941.44 10832 8259.19 8762.62 7847.22 5272.58 2129.14 8190.2 9131.55 6099.49 6755.49 7082.64 6078.28 5696.56 12647.2 5643.68 7516.24 8306.89 8144.22 4257.83 10139.37 8866.11 7474.95 10258.99 7793.77 8803.36 7986.68 7525.95 7957.49 8154.45 31755.44 51017.48 13136.77 56282.71 38432.62 30506.37 23843.33 2864.75 63506.34 26735.32 25446.93 40706.16 46152.23 34990.57 56847.56 56232.79 63535.42 59623.45 47544.03 85376.4 63327.64 55278.2 3373.07 1675.79 3364.08 1834.64 509.88 536.33 523.8 Citrulline 1090866.38 1342551.12 631113.44 1052257.62 1038696.75 880359.31 1394110.38 891633.69 824384.31 598862.25 1067707.38 918920.81 996962 1407626 693680.81 2196219.75 1535127 1441461.12 1164164.62 1132499.5 1204499.62 1411758.38 1223101.75 1720143.5 1397431.12 1608395.38 1383004.88 1832240 1219711.88 1441545.5 1814138 1281249.12 1528311.12 1717300.5 1307645.5 1836178.38 1507821 1438554.12 1349139.62 1297570 994466.06 1895554.62 1590913 1760978.88 1588116.5 977183 884760.5 781232.94 1268376.12 2071583.38 1624285.62 1813885 69523.35 98574.88 18616.52 76937.85 92185.41 44109.98 63009.81 3595.48 104666.05 73704.65 43739.65 60435.68 57789.46 93888.49 130509.96 139059.81 124340.69 99828.04 138902.39 106498.13 99998.46 126828.31 7041.88 6163.7 8197.59 9073.5 411.76 246.14 0 1,2,3-Propanetricarboxylic acid 45861.58 51776.06 63851.47 42978.93 81894.15 43188 58685.28 31702.99 24086.33 30331 82231.84 40174.31 42680.05 37049.68 29417.55 36161.31 28373.19 43018.83 47642.52 80183.57 51774.66 90441.85 40388.23 32261.99 78690.37 57542.46 34945.11 87590.56 46033.82 65276.91 152299.17 32670.76 38949.2 35579.52 26580.62 40185.38 46665.4 86219.6 46117.91 26601.04 26655.08 46352.76 36118.69 55130.39 43908.11 64535.39 52349.74 45482.06 38058.83 38704.12 76815.34 71665.02 7378.47 9169.21 5003.53 9215.37 11131.61 9452.94 9523.56 4190.4 9898.89 8714.72 5564.53 9189.39 6741.15 7814.21 14511.26 13192.72 8245.63 15304.21 7835.17 34690.46 20920.74 22300.87 4205.02 4445.91 3946.59 4585.8 7518.81 5707.12 5179.3 N-Formyl-L-methionine 23030.94 36106.42 28091.52 29715.67 44748 26518.55 26610.03 32243.47 34105.79 39078.49 26789.37 21297.68 23514.86 29341.54 14015.41 42178.09 30795.26 24156.88 24789.89 27534.99 32636.55 24941.84 34523.7 26166.67 62137.3 34352.89 23070.74 23108.64 25725.71 31174.28 36398.58 24214.93 27500.41 27614.46 28745 33499.87 24275.6 30008.78 21141.06 24297.94 20495.8 33971.93 26589.29 27180.87 24733.45 26235.06 27607.94 17185.54 36443.87 23816.57 34049.87 15830.09 11008.25 9409.8 2341.68 9406.04 20425.55 6505.87 10686.87 258.01 10289.04 11631.13 5056.81 5259.77 4224.51 6304.5 7623.69 15464.82 13600.92 9066.56 5298.76 9586.35 8694.9 2460.72 1925.98 680.78 2948.52 849.54 0 0 0 Pyrophosphate 16525104 17476424 5524189.5 16139563 12428277 9511830 12458133 11026619 7215808.5 6639361.5 14943608 16248148 7535572.5 7587776 4138928 17433738 14365669 12362463 9929629 11807148 14881379 14014541 10997271 12817212 15984161 14891881 17083850 14991056 12446425 13854688 19183062 9348427 7215164.5 16030575 9903141 18583998 16390759 17548386 8817947 6994926.5 5141563 9255379 7451829.5 9219545 10165871 4823768.5 5184985.5 3431186.75 10448508 12924427 15233629 12492376 1220469.38 1220924.38 1234357 1186020.5 1206921.88 1211947.25 1142919 1145788.12 1216634.62 1236186.62 1234363.5 1224709.12 1214238.75 1262281.62 1278986.12 1238499 1250916.38 1183519 1239498.38 1212751.62 1243994.38 1272033.88 1158333 1153903 1154550.38 1163409.38 1103650.5 700562.31 757445.5 L-Gulonolactone 108174.56 106424.27 141437.19 116747.84 93657.21 152021.7 117183.5 71770.51 82726.8 46048.14 133261.44 79336.48 69385.24 65531.84 81104.32 85920.94 78565.66 98896.19 78890.54 75620.41 82608.34 100146.95 67948.63 54842.68 111801.18 100125 55012.94 108788.49 98490.1 99779.05 56309.2 68219.29 93905.1 78217.32 60732.34 69267.6 76045.91 64074.62 52240.11 53233.39 63197.25 72427.67 78525.78 138470.05 64362.45 54184.53 96279.91 71456.29 74843.66 61484.07 69431.98 63085.12 134906.36 344450.03 155422.53 258663.38 125026.95 265991.72 277402.53 584.49 375517.5 227460.38 102730.66 286461.84 204083.45 230214.11 397948.38 368519.66 424923 420036.38 496666.47 372017.5 472663.41 442223.47 21699.86 19711.67 44595.55 21320.52 1407.63 839.12 1291.05 Glucosamine 5883.53 3695.67 4485.48 2758.82 24833.27 4094.22 1974.74 11030.18 1609.88 27420.85 1883.69 3368.22 1691.82 4012.45 2368.14 5197.11 4571.37 3759.55 4167.67 2810.87 2057.73 3336.57 3460.59 2096.22 1428.36 5059.51 3678.77 2275.03 1421.63 1916.35 1370.66 979.65 4361.87 2750.4 6223.67 5205.19 3237.53 2680.29 5339.97 51368.56 25621.64 4093.35 8844.32 6410.83 6125.07 30114.2 21374.92 48899.43 2834.9 3203.99 2625.06 5910.58 20088.24 16723.78 1886.6 11090.04 10426.59 5404.52 5218.47 218.74 23242.84 18431.41 9920.48 18990.94 13276.2 24065.03 20764.13 31087.77 25737.6 29299.41 46437.84 17869.67 13568.74 55503.14 1045.12 1318.37 913.19 3478.1 1055.89 832.42 460.1 4-Hydroxyphenylpyruvic acid 10381.19 37877.47 34957.63 32860.86 42197.6 29811.87 29803.85 25304.79 55014.23 12846.76 40648.66 34991.86 99953.31 33213.76 25425.1 52007.36 27361.62 91338.54 43781.72 75609.88 39245 59677.15 42641.16 29473.26 44736.83 30415.25 34162.96 54376.21 34553.27 46692.95 46073.39 33606.59 33691.2 44651.81 58413.46 42402.22 36387.54 51873.82 117363.13 23550.17 33115.57 35559.28 38196.76 102626.01 56064.36 65959.71 24365.57 34766.42 50743.46 39010.24 35211.56 35281.78 27739.08 36573.28 11840.58 30729.42 18846.45 22562.42 14028.18 19534.22 45283.92 20220.19 11937.72 28784.39 42080.51 24463.1 46944.27 34991.7 43709.81 50873.25 48395.39 67927.09 33735.18 50462.19 3812.1 2472.24 1134.32 2173.28 19275.9 6431.53 3276.85 Methionine sulfoximine 9254.91 36200.97 0 35402 13889.94 18163.29 48440.16 14235.6 39372.71 2535.21 19176.07 16671.1 42913.34 42317.44 12841.09 64716.79 38866.65 20698.45 42821.38 31006.78 29361.38 26792.45 54942.17 40701.25 97389.62 21452.92 38521.5 67917.85 16364.83 73007.05 48198.76 29829.89 35931.83 39072.41 35438.97 29744.71 39774.47 62466.5 56050.26 37027.48 33086.7 33325.63 58193.93 37126.36 18291.47 27357.42 23478.14 29018.06 60990.83 45160.74 65894.05 69120.59 0 0 159.47 218.54 0 0 0 0 244.82 0 0 0 0 0 232.07 0 172.99 203.81 393.64 193.54 0 0 0 160.1 0 0 172.38 175.7 0 D-Galactose 4533203 6007315.5 5795986.5 6664448 2172976.75 7876382.5 8596663 1432941.12 3081662.75 1123225.88 6355771.5 5570638 3211833 2720537.25 2014617.62 6461720.5 3806861.25 7607048 4735356.5 6046381.5 5734174.5 7377181.5 5417036.5 2192893 12317624 5551101.5 1847732.88 11325677 9256149 8739127 1993607.38 4963848.5 5131620 4672667 3460521.25 2609265.75 3465203.25 3770751.25 2347491 1661537 1635212 3817671.75 3138554.25 12381325 3270615.25 1811506.38 3529672 1874991 2983314.25 2755016.25 4528986.5 2756430.75 1607121.38 5635329.5 2046037.62 3900199.25 1485957.62 4338376 3938695 10346.39 5367658 3318934.75 1269222.38 3720375.25 2445392.5 2951208.75 5146996.5 4516226.5 6188321.5 7048224 7773926 5413249.5 7472488 6132513.5 262152.62 208235.12 532523.31 261788.83 12724.14 10102.3 11470.62 D-Glucose 4533203 6007315.5 5795986.5 6664448 2172976.75 7876382.5 8596663 1432941.12 3081662.75 1123225.88 6355771.5 5570638 3211833 2720537.25 2014617.62 6461720.5 3806861.25 7607048 4735356.5 6046381.5 5734174.5 7377181.5 5417036.5 2192893 12317624 5551101.5 1847732.88 11325677 9256149 8739127 1993607.38 4963848.5 5131620 4672667 3460521.25 2609265.75 3465203.25 3770751.25 2347491 1661537 1635212 3817671.75 3138554.25 12381325 3270615.25 1811506.38 3529672 1874991 2983314.25 2755016.25 4528986.5 2756430.75 1607121.38 5635329.5 2046037.62 3900199.25 1485957.62 4338376 3938695 10346.39 5367658 3318934.75 1269222.38 3720375.25 2445392.5 2951208.75 5146996.5 4516226.5 6188321.5 7048224 7773926 5413249.5 7472488 6132513.5 262152.62 208235.12 532523.31 261788.83 12724.14 10102.3 11470.62 myo-Inositol 4287514.5 4471553 3930746.25 5012330 3078189 4721348.5 6573190.5 3136131 5373864.5 2152948 5187158.5 4781632 5655896 6751794.5 3883136.75 8407885 7206458.5 4974335.5 6197260 6133916 6701836 5403889 7728949.5 5587283.5 11817608 5732373.5 6219523.5 10215040 6692514 9771837 6883604 5547427.5 5148879 5897374.5 5090843.5 6724780 5580909.5 9946052 6264855.5 4976295 4382019.5 4452740 7940101.5 4871942 8182246 3702854 2959188 3957072 10007951 6557404 10862594 9805397 54983.41 61288.68 24735.27 83622.18 59256.78 55706.7 68518.63 18638.12 106752.44 48629.12 33190.39 60681.39 50593.45 48558.91 82149.8 87707.79 99756.22 59195.55 83723.97 77919.83 76680.14 86925.3 20894.09 18907.24 22553.76 18585.44 33392.53 36696.28 35236.09 L-Tyrosine 340400.41 638250.31 205677.88 457157.53 120237.3 240761.61 587150 102517.53 410219.91 8277.19 477114.25 747972.19 1091501.5 617366.81 269501.41 1058979 562089.19 1367578.12 739540 1552460.62 890194.56 1046304.19 871756.81 666449.75 799458.19 566575.94 386079.34 702614.19 479214.25 534916.25 609270.44 320602.91 162111.31 446125.97 648623.25 498708.97 391398.66 806527 944317.44 34445.82 39215.25 321642.84 168905.73 1075747.62 768767.75 61365.19 31790.04 22276.27 478861.16 655443.31 544019.06 450406.88 5742.8 8743.86 7556.32 8862.48 7798.55 7949.97 6851.88 6558.61 11716.24 7069.29 7975.04 7542.09 8298.78 5405.06 11372.13 8144.91 8896.34 10059.88 10723.82 14499.9 10335.91 11916.55 7602.81 7709.21 7531.05 6664.39 6231.09 5987.78 6059.29 Hydroxyphenyllactic acid 55038.36 151504.55 114802.99 104707.5 101429.57 105024.5 153074.52 71334.18 110672.91 27524.21 95269.66 137376.27 154510.44 141579.05 44264.18 228600.02 68603.3 160448.92 111333.69 194146.2 150006.89 143361.69 113048.51 73711.31 115899.35 147315.25 124652.1 219813.45 230648.42 209199.95 207327.33 230052.36 203743.77 222522.83 403958.75 189118.8 214599.5 374490.72 338064.38 84913.01 64136.02 213224.02 131283.81 225871.8 352295.22 191041.61 134374.3 139685.11 308027.38 171045.8 158134.62 225662.33 4990.44 7769.13 2445.63 6763.81 5185.31 4581.47 2159.72 1524.45 10603.82 3312.05 1356.36 5512.45 7552.8 3311.56 5936.41 7012.77 5965.6 7650.8 7814.1 15494.32 7206.44 11016.13 1282.54 1093.42 2151.02 1309.37 1263.34 2191 1920.53 L-Homocysteic acid 139889.08 175660.12 139808.48 180564.56 137967.81 176620.31 185587.67 131803.56 150201.08 86354.98 174457.97 169065.73 180659.33 176776.64 110927.29 169862.67 159849.66 146178.17 171814.3 158159.33 167658.08 183163.17 167525.77 156437.8 191952.83 170912.56 202917.61 256599.95 242447.58 218296.12 214659.58 205639.62 174223.42 224126.38 188528.73 237163.12 217306.44 250631.33 223237.62 159881.86 154648.14 199211 182721.05 237858.36 214912.64 148774.27 155729.7 105773.3 191297.14 211502.8 243307.45 237464.33 158980.78 189160.69 65428.55 195398.02 154682.27 155900.58 129000.56 1358.58 221214.7 120896.26 90441.31 174248.92 124780.82 153107.06 233453.36 238018.95 205490.8 187016.58 213982.36 228594.81 214063.61 242055.89 6985.66 7164.59 13483.93 14260.32 1073.4 1266.51 705.76 Phosphorylcholine 7204.4 8747.48 5006.23 4173.38 4387.46 5661.16 6262.84 5975.01 7289.44 3638.03 6014.98 8808.34 6063.86 6553.61 2114.65 11112 7589.59 6530.57 3083.6 7579.18 7876.27 7508.3 6740.26 5335.26 12091.83 5786.73 6974.7 7976.36 9859.24 7187.53 7614.82 5339.33 4931.26 7810.89 5668.42 6426.79 6641.51 7921.45 5500.03 4310.18 3655.52 7598.88 4826.09 5943.86 3964.84 2046.62 2917.64 1309.64 7108.58 6371.08 7815.07 5972.76 274.77 237.57 233.95 235.91 195.53 202.23 247.07 171.99 235.6 206.48 0 206.12 0 240.31 217.44 0 164.71 170.06 189.24 130.97 0 250.07 336.95 269.87 216.86 209.13 417.2 163.27 179.7 Phosphoserine 7499.29 16635.98 22662.67 18786.27 21184.29 18830.47 16531.65 22978.38 11350.68 16454.75 15307.27 11776.29 13768.22 19958.27 14352.71 15449.72 10370.34 15312.1 17028.9 12893.78 12811.56 15070.67 19494.48 14643.84 8576.02 11968.46 18633.97 17223.39 20455.43 19629.54 21686.65 18660.02 14378.96 17507.94 18407.44 17500.6 19971.71 15425.87 15876.89 20229.84 11845.08 17139.12 18745.77 14787.92 16429.27 18572.86 15156.34 16130.39 9544.2 16009.28 16232.56 18078.96 513.85 583.04 267.56 518.54 363.83 494.36 454.37 257.15 1051.49 1072.35 277.57 1006.98 418.84 1019.16 1281.32 697.34 733.04 761.77 915.65 839.19 585.15 765.52 326.74 218.9 437.11 399.97 402.21 198.01 211.21 2-Phosphoglyceric acid 935364.75 1448573.88 639982.81 1055507.38 994159.81 1269306.62 1233455.75 579393.88 666795.31 231956.45 891889.94 778152 1168385.88 918651.5 512026.22 2071526 1464178.62 764935 1125160.25 1387307.12 1168301.12 1732602.62 1339548.5 1217500 1215425.12 1007708.5 362068.72 1030508.81 1466997.88 701743.94 606835.56 712250.19 920506.06 898185.25 922021 705595.06 828520.5 645543 857947.69 438031.34 361841.41 867503.5 527908.5 1249537.25 864999.25 551310.94 608302.88 345907.59 778942.5 970825.69 792317.75 928779.69 2184.32 1133.06 1009.6 1229.57 1251.25 1535.76 1284.11 520.55 1084.16 904.99 1162.78 1856.5 1302.85 1434.36 1500.33 1121.48 2214.93 1020.29 2134.67 2160.15 1826.37 2325.34 853.23 587.95 1081.68 628.71 5424.99 795.52 1762.49 C11:0(Undecanoic acid) 556154.69 644262.69 984816.5 8757375 200903 2721352 316707.5 229576.64 210705.8 280965.56 2882630 12081787 271418.44 354774.12 409787.66 275695.69 248099.86 300486.47 238442.3 279324.09 265545.66 303244.38 760106.94 250857.61 311508.09 294378.66 2048876 5943380 1110189.88 4378612 293389.97 224365.25 230243.7 434122.72 275887.41 653064.06 1785846.88 522207.59 319428.75 327193.72 286381.28 239322.77 218311.5 375048.75 205677.92 229346.95 199909.8 172234.34 393636 316911.62 377934.84 343077.03 77848.38 76957.5 79498.84 94597.91 84346.51 67500.84 66704.59 72464.12 82438.63 72310.16 83271.84 97966.19 82979.13 78692.38 74280.13 98879.94 71456.16 75028.74 78490.7 49873.45 90281.77 71715.41 26452.24 33245.52 31576.16 42252.42 221926.12 178318.75 167708.98 N-Acetylglutamine 11159.07 10637.9 4767.61 9384.47 9974 4520.56 9094.04 7764.37 14166.8 14999.4 10891.62 6844.48 14749.78 8667.24 10412.29 17649.7 9603.15 14283.31 9745.7 9789.55 9590.95 9931.65 15304.83 19486.54 14945.08 16501.88 19194.04 25433.62 14774.38 12956 16675.22 10314.25 11874.73 10932.89 11797.41 8153.4 4684.4 15247 18931.74 17564.02 18387.43 16291.64 14767.73 17028.57 13062.66 21498.97 14231.56 17575.43 19921.4 17848.16 17415.51 17269.8 4296.68 5846.32 2356.16 5278.1 7099.62 3891.79 5196.92 1502.55 4455.63 7108.41 3877.16 5035.05 6692.56 4445.78 6957.5 6214.33 5982.57 6766.22 5235.51 9214.99 5789.4 6007.22 2904.28 2201.96 3465.67 3268.41 1312.87 2191.5 1761.73 N-Alpha-acetyllysine 39659.54 52746.07 35822.44 38586.16 28666.09 40206.59 39036.15 26749.09 33342.2 13121.89 34390.61 36640.85 50632.11 43811.69 27696.85 100619.69 51056.25 49100.73 41121.6 42910.53 45472.38 52800.52 39735.23 43230.37 73329.4 41444.71 40054.86 64784.33 55880.47 42156.04 60468.95 43274.88 36012.7 38647.16 32960.5 41283.39 40604.01 49382.54 54928.25 26652.44 34564.4 39537.87 32780.57 57824.75 47242.29 23818.61 22218.21 23919.02 33481.46 43693.91 54000.99 38853.16 1991.8 3089.26 2811.65 2314.89 2975.5 2657.76 2250.82 2467.84 2690.8 2709.99 2336.45 2857.11 2338.93 2604.92 3065.6 2678.09 2524.66 2555.25 2640.28 2728.82 2770.09 2693.66 2490.85 2774.57 2410.5 2317.42 2175.09 2737.31 2572.74 Homo-L-arginine 7375.07 9442.31 5401.06 5225.14 8387.29 6254.67 4959.64 3803.68 4791.9 3092.61 5871.24 11161.98 8484.88 8770.48 7864.62 19601.24 12990.36 14574.52 6040.61 7939.86 8259.79 11512.83 6764.8 9972.94 14717.43 9980.93 12040.57 19036.91 7862.38 8163.25 18176.9 7083.58 4457.41 7775.52 4688.97 12065.9 8425.63 15305.26 9032.38 6328.76 5645.65 8626.55 8819.96 16474.26 8506.29 3410.3 3961.33 4542.38 6085.46 10815.01 7628.16 9185.55 208.69 282.99 0 0 185.93 147.59 193.6 0 0 0 161.36 201.84 0 146.72 165.8 0 0 418.15 149.85 0 0 0 0 0 162.17 183.15 0 0 0 Indole-3-propionic acid 17410.16 16342.96 26933.6 26300.33 25781.65 32778.09 39950.79 20165.89 23037.62 3363.88 15210.29 10636.85 27974.9 32091.77 17095.1 125445.88 43299.71 20376.94 27394.74 49794.15 61412.96 44246.02 28799.86 31767.78 28338.53 46003.7 26953.22 15439.97 33119.79 40095.96 30392.41 36677.91 45350.77 38140.07 22002.01 5970.16 7125.26 14050.95 34265.37 25051.54 32753.31 120339.71 44880.39 28902.75 31431.01 32556.22 27245.97 19017.91 27596.33 37040.67 21908.7 14445.6 13333.09 20776.58 10903.66 37572.8 27324.4 23639.24 24312.37 696.19 47391.44 13991.99 19862.97 15218.51 32328.01 20072.89 113263.71 157188.45 93716.59 38356.31 65032.02 90876.45 46526.39 97988.51 4367.56 2330.95 5903.86 2236.44 389.71 338.6 309.41 Homocitrulline 17578.84 22602.62 11116.92 22152.77 16678.36 19213.58 11969.45 12719.57 6254.72 7588.1 18580.16 18244.88 24636.59 19714.45 14951.16 45091.23 18920.27 21096.2 21790.17 22550.06 18592.04 16700.73 12266.72 25221.89 32251.37 25171.39 11036.37 19442.19 16206.2 11852.4 20740.7 14359.62 8934.53 16872.94 6549.83 17046.68 17032.02 18776.03 15549.86 11099.42 13992.6 12264.68 9231.81 14163.2 19000.32 8414.94 5455.92 5556.76 8457.66 20150.13 17829.95 18171.89 1026.14 1582.7 170.65 1318.67 1372.16 1155.44 380.53 276.34 1036.36 558.92 471.76 1428.9 908.18 1087.22 3410.28 1493.98 1289.67 1037.5 2212.08 1804.81 1248.1 1545.76 833.96 167.33 128.3 0 301.93 314.56 209.28 Diaminopimelic acid 2776.76 1982.55 1414.97 1227.43 1394.07 2665.1 3120.87 1730.78 2235.17 291.15 3021.08 1358.88 2636.76 2828.14 1493.02 4320.48 3003.2 3288.56 2278.98 2307.76 3332.29 2685.87 1705.7 3710.05 4457.65 2513.84 2045.97 974.66 1485.25 527.52 2112.39 1807.38 1099.81 2740.95 1367.85 1512.33 2281.9 1415.59 1747.75 1367.14 1644.56 1079.09 1709.1 2520.78 1524.63 1340.71 601.17 218.54 1661.23 1869.14 2540.56 922.89 0 0 222.39 230.78 162.94 253.98 0 0 211.88 0 173.3 191.71 0 0 211.02 218.7 0 0 168.57 0 146.66 0 0 180.95 0 207.14 0 0 0 5-Hydroxyindoleacetic acid 36387.66 13870.71 39180.99 22039.07 38956.64 35191.64 24407.32 22914.82 35334.83 25894.87 32789.63 27738.12 34863 39653.08 39495.46 25853.93 29737.75 44273.56 33186.91 23357.75 21558.08 31317.83 27201.27 43319.02 26035.66 16866.12 28739.77 36811.59 46756.03 45171.19 44850.42 45779.59 50580.77 56046.77 56511.92 43627.43 49916.33 38590.77 36933.04 38385.14 43595.64 37997.29 44762.57 40285.87 56467.61 42366.99 46697.11 39488.36 47816.09 44681.29 48784.91 41989.84 152412 193095.75 41518.89 226430.98 139896.33 112790.12 133164.45 11907.26 321968.47 86732.99 43161.32 240572.8 104962.84 181180.33 375820.88 365389.25 285954.5 212861.69 325590.03 335188.97 256445.86 248122.52 4826.11 3558.3 12903.08 10790.12 415.08 846.88 873.1 N-Acetyl-L-methionine 36387.66 13870.71 39180.99 10190.04 38956.64 35191.64 24407.32 22914.82 35334.83 25894.87 32789.63 27738.12 34863 39653.08 39495.46 25998.32 29737.75 35151.09 33186.91 23357.75 21558.08 22824 27201.27 43319.02 14472.17 16866.12 23869.16 36811.59 46756.03 45171.19 44850.42 45779.59 50580.77 56046.77 56511.92 43627.43 49916.33 38590.77 32942.86 38385.14 43595.64 37997.29 44762.57 40285.87 56467.61 42366.99 46697.11 39488.36 47816.09 44681.29 48784.91 41989.84 152412 193095.75 41518.89 226430.98 139896.33 112790.12 133164.45 11907.26 321968.47 86732.99 43161.32 240572.8 104962.84 181180.33 375820.88 365389.25 285954.5 212861.69 325590.03 335188.97 256445.86 248122.52 4826.11 3558.3 12903.08 10790.12 596.88 0 0 Citric acid 5173038 7757436.5 8823432 6674048.5 5283802 8264835.5 10665453 6835426.5 6718016 2672570.25 6462312.5 6938308 7091169.5 10366548 4835909.5 14257399 9863395 7801161.5 6352508 7918594 8684779 7555890.5 10461555 8399280 11288571 7628397.5 12991189 14297581 13986672 12597831 13918835 11468128 9295684 15450019 10821601 12224853 16007991 12790997 11993016 7666281.5 6397947.5 11812480 8542295 11110583 10906229 5990902.5 5722374.5 4021816 10205144 11589844 12052251 11920268 260126.81 254782.39 102809.46 178867.62 450607.47 321632.38 335843.84 70285.27 614102.56 437436.91 301799.22 398501.38 304702.59 316019.28 732402.06 782890.5 631810.19 421450.59 630831.75 531152.94 476880.91 645272.06 100892.73 64901.74 55247.83 47601.5 161674.23 20250.87 18456.65 2-Methylhippuric acid 26092.24 33418.53 23343.74 53248.86 16781.88 46949.41 41829.98 22276.81 20991.63 11818.3 55072.3 31293.52 35251.42 25699.33 24736.06 78400.85 40041.82 45209.11 31982.52 52229.77 51724.28 55060.81 40982.19 38462.46 58703.73 42433.81 87878.09 256135.7 80483.55 122996.49 62994.47 64591.82 59257.34 66879.68 58606.53 66537.87 72726.67 57523.61 82138.01 48019.08 52715.08 111274.82 50587.34 129993.5 72501.16 47555.31 43710.33 42396.27 65663.11 67105.87 79609.75 60949.36 20837.08 6452.3 5352.82 18036.54 14638.83 10201.34 11549.92 3720.87 12581.62 12095.17 6121.67 5270.49 11243.49 11622.77 27972.65 27145.39 29954.23 20661.76 26408.12 28841.24 18373.57 31037.21 2341.53 2593.72 2571.38 4498.77 17589.9 5723.28 6390.75 5-Keto-D-gluconate 12210.83 12794.38 12685.25 16406.06 8637.72 14592.43 15797.78 8590.31 9512.71 6083.55 15599.97 13400.05 9429.87 10307.54 9007.21 12381.84 13635.04 13694.12 11887.39 10749.5 11487.63 11430.4 12249.5 9983.87 22768.97 14905.21 12111.68 21715.21 13206.63 14586.7 9906.42 7642.6 9503.19 11301.57 6795.13 12337.22 12902.96 16591.09 9837.62 7603.94 7482.18 7786.33 10608.72 9647.39 13444.71 4925.21 6037.37 6453.21 15708.62 12443.25 17429.38 14898.2 1301.21 4230.41 1822.58 2826.92 1407.51 3406.97 3257.83 145.28 4830.61 1934.82 1149.15 2596.87 2224.81 2934.41 2146.89 2447.53 3202.39 5048.08 5018.58 2332.31 3914.03 4215.96 882.21 465.48 530.76 327.12 196.41 174.94 187.06 Galactonic acid 112669.93 175271.67 105307.45 156850.08 81033 109894.41 135922.89 59828.61 105064.76 56903.02 123449.99 97310.4 77509.55 96931.15 36521.15 224451.08 110863.16 78336.66 73836.1 162100.98 179741.94 77108.26 130322.25 80738.25 258386.2 81936.8 66540.63 156250.16 105793.25 115299.87 105143.4 61828.91 65866.74 100197.79 98455.74 113029.7 74632.34 114933.02 61374.7 44513.11 33997.25 86390.53 62458.58 81012.73 77088.23 53316.28 47775.88 33688.78 111534.32 84736.02 170759.8 78965.21 4257.54 8410.03 3582.3 7395.92 6483.05 21874.34 5376.9 639.06 7113.7 6318.33 3247.05 6230.73 5038.96 5079.88 25280.55 8527.46 8996.73 11598.23 9313.7 25831.91 31999.91 7717.52 1527.12 1214.91 1405.13 1290.33 702.7 1768.1 1770.79 D-Erythrose 4-phosphate 923646.94 771231.19 1391455.88 734406.19 590138.06 1380673.12 1304494.38 693134.44 807225.31 474537.12 963315.25 893451.56 1302782.12 1381994.62 1068121.5 1295739 911667.25 1086993.62 1065990.88 1702151 1034217.75 1218738.88 1542030.38 783535.06 1560397.5 919376.5 174762.53 348522.03 605248.69 288955.59 130670.37 479710.41 596044.5 386684.53 356594.12 182786.11 187131.64 227026.12 667429.81 295794.72 344410.66 437680.09 280951.78 679167.31 420654.41 557787.06 416408.09 431301.75 449281.34 284761.72 365788.22 223594.05 2185.58 1283.15 746.45 489.08 901.4 400.7 541.21 482.52 291.28 839.46 373.2 432.72 265.73 436.67 410.62 330.84 552.99 295.4 603.98 251 288.37 213.97 337.2 229.4 331.47 231.62 3340.5 294.37 233.95 Cysteine-S-sulfate 535.97 1230.82 737.93 3328.56 8193.05 2210.99 1078.5 3153.17 3489.75 1477.87 2448.19 1154.43 899.61 0 751.36 0 519.51 857.59 519.7 791.67 0 952.22 1428.19 1814.9 266.45 746.43 1218.42 557.64 2827.23 1808.43 0 2329.33 1053.73 808.2 6009.27 1084.73 0 968.75 1003.64 1562.04 1292.08 994.59 1309.88 1503.33 996.23 414.67 804.84 495.3 1376.96 1706.97 1382.34 2646.69 6140.6 10674.84 7132.46 16495.35 10262.89 24185.16 8951.53 0 101492.16 61258.71 21887.55 21113.49 13002.03 13080.92 47989.97 3934.15 13796.59 7893.47 6613.62 11436.95 8949.35 11854.37 3184.85 224.24 1143.82 441.62 0 191.25 219.56 Capryloylglycine 69700.49 58238.84 27977.67 53693.66 90013.38 44783.57 36290.14 48910.98 24655.13 22222.23 81341.66 32331.41 22516.04 61679.74 18838.07 61624.55 37133.8 52127.53 25271.79 26287.77 34130.62 28719.65 34945.23 66191.95 60990.45 43632.12 70326.88 125343.41 42976.92 64754.69 147091.25 43677.29 32830.41 92655.43 33843.35 104397.27 75338.41 49134.9 37790.42 42554.14 28696.1 63449.34 33415.36 101659.85 36844.31 18922.61 17988.77 13654.57 38897.44 99628 69254.62 50258.8 28406.55 49878.05 8522.16 30096.56 42681.85 18848.69 13281.58 822.52 19914.72 23322.16 19126.73 15939.59 5889.48 26913.25 40791.62 50627.46 44376.9 32367.27 27397.94 14945.33 26709.78 14447.75 2310.92 3862.6 3972.85 3306.36 1822.14 1047.97 1184.15 Indolepyruvate 23235.03 25947.74 29721.97 29298.02 28832.46 22868.88 26457.75 24062.77 42408.02 5397.84 22874.67 14437.42 30362.41 7418.83 3833.22 38628.14 29931.69 30162.99 15874.96 35249.17 25703.31 23321.95 39362.41 18261.96 40464.3 8549.04 26767.69 24388.36 20145.15 32875.61 21362.82 28024.47 22047.78 28227.48 32921.86 11536.78 19844.41 18528.9 26143.97 6161.54 13832.23 13970.53 25933.17 24836.7 14172.22 29417.95 18455.01 15381.14 31140.94 14388.42 10366.17 8881.07 15899.04 33770.84 13802.45 47060.82 45490.12 36427.02 30393.95 1375.56 69099.28 23355.49 19920.88 31169.85 39014.81 11645.23 35699.41 30687.56 53585.03 39900.65 27506.85 33036.66 48797.53 51800.17 4468.51 3137.48 5850.56 2528.19 2246.07 1053.2 471.91 3-Indolebutyric acid 138768.8 176786.25 83607.65 160926.59 262332 152663.64 178360.2 212976.39 260895.88 59552.75 257374.06 101874.38 102066.25 288914.47 98769.63 534362.5 360268.16 198857.17 189236.58 262595.75 390654.22 166895.02 568039.44 273596.94 665448.81 229358.2 614561 725350.5 405102 756255.31 977383.5 456190.09 449661.09 692955.81 525232.25 647322.44 392081.22 328711.09 179459.73 371533.5 136282.66 844704.5 546521.94 515797.91 415341.28 299217.25 277755.97 111174.31 1078624.88 456271.59 867193.25 291999 112757.46 112529.18 121498.7 136230 130719.32 70225.65 96589.79 23967.76 142279.94 79849.01 110675.06 113854.09 79353.3 113217.62 131498.08 128176.34 116452.49 135559.61 126033.79 121085.79 122444.62 96261.3 37184.89 27729.94 38856.62 53780.17 24404.08 37325.52 35255.39 L-Acetylcarnitine 54511.73 65937.26 37944.51 51512.23 48974.92 47218.16 50897.45 40878.85 38232.08 47033.79 57946.5 47970.82 28300.19 36585.22 26013.94 60213.72 40833.11 35232.87 49493.93 38413.73 45838.14 55446.43 33975.45 33471.22 65166.27 49619.76 274532.16 100920.31 48276.8 94621.54 203899.14 88054.81 57916.5 139451.31 71617.75 169298.73 143559.88 130040.54 45075.61 46736.75 38611.59 152482.38 40617.24 52491.67 95831.88 31663.13 48382.03 40227.15 107847.9 82526.27 105883.66 57535.82 2073.8 2772.92 1405.91 3020.42 2302.68 2650.25 1841.14 793.25 2634.75 3073.68 2825.02 3842.93 1810.86 4008.22 7379.33 4479.14 2970.8 1915.01 3478.09 2133.96 2311.79 3097.91 950.05 534.64 954.66 1113.19 1184.26 891.77 419.03 L-Tryptophan 905599 1005967.19 429367.25 862638.19 503035.41 483085.41 807325 418143.28 621567.69 137191.59 1125061 790510.31 907234.19 813760.69 256724.64 1505343 796557.5 1234960.38 706793.69 1145119 912390.25 807082.31 1368288.62 710322.75 1671186.62 676512.38 855330.31 1068598.38 713354.5 972362.69 1108803.5 457156.03 351332.84 736544.25 663184.06 946992.75 865132.69 815609.75 883212.5 212581.25 145880.52 465402.66 332934.97 883347.31 607348.69 192047.67 163097.33 41269.04 852410.5 557088.44 965276.69 386061.28 4994.41 16442.97 1165.98 9771.49 4215.84 4514.05 5466.6 1469.54 18449.97 3004.57 976.99 3914.74 4258.51 7791.84 12724.43 10209.88 17901.02 19984.4 18484.75 31703.41 12656.79 16881.94 1744.76 3820.02 2396.14 2704.98 1483.88 2647.33 1348.92 Indolelactic acid 31259.57 43295.55 35632.99 36152.91 39313.58 37948.11 39301.16 31747.74 39543.71 5259.66 51672.03 34427.72 61842.66 52131.73 17718.69 64257.68 30581.37 39298.28 32409.07 48911.19 39459.42 38812.68 60841.18 27248.37 61667.27 41943.56 62726.33 63381.83 63087.14 91446.35 61159.64 66783.63 52208.07 79761.07 73230.54 54631.68 132442.67 60859.92 93496.88 21962.23 22121.46 45813.42 39153.75 57884.08 60140.45 26143.81 14076.52 13730.3 68331.02 42091.38 50972 27726 5505.22 6606.52 954.56 10456.78 6182.73 1728.68 3374.87 483.01 15926.82 2191.14 2233.93 2816.19 3918.68 4088.61 15606.76 12542.22 14121.99 4468.21 13846.47 16468.55 10361.25 21742.29 979.57 882.32 493.62 511.68 604.16 923.95 826.17 Methylcitrate 20199.52 19845.58 25857.85 14871.25 17498.88 32735.33 28797.59 20961.65 17519.78 11462.09 26210.9 13193.43 20435.91 42497.45 15819.96 34299.37 30027.59 29099.57 18219.97 34212.62 26890.94 26868.15 33107.93 25637.89 33812.6 18328.67 38947.31 52400.48 34687.84 30504.52 43811.42 26024.91 17769.53 30614.54 34182.65 33379.09 40673.36 48370.88 39864.98 14607.57 20775.61 35321.36 33305.23 31875.87 50559.58 21545.11 21173.84 16484.05 28535.41 36680 52646.29 36309.19 3763.12 4214.7 4188.48 4456.75 3199.93 4309.07 4140.23 3310.37 4051.11 2986.89 3940.13 3381.21 3738.59 2969.63 4681.07 3578.01 4141.95 4087.56 4521.5 4372.08 3507 3589.34 3774.01 3246.6 2685.39 2673.66 1591.43 2359.39 2453.83 (R)-lipoic acid 52630.03 85930.99 59918.89 74753.57 52234.36 136738.05 341440 139674.95 185388.94 73752.26 412409.59 172699.23 248813.33 206579.39 167210.77 416513.25 404795.09 288755.72 306458.5 313417.84 365384.59 328490.97 422320.28 347759.72 539226.75 264655.59 353944.12 542912.31 444033.91 402164.03 395787.38 342779.62 246474.44 381076.5 327836 493754.41 384560.78 1046350.69 356623.41 229285.45 338733.72 343048.59 396889.34 424338.34 418532.91 299898.91 261133.44 356196.88 482894.09 452916.38 682032.69 458276.66 1290.95 1261.16 428.65 2082.8 3233.79 1555.72 3288.26 250.81 4757.29 2905.62 2387.76 4296.31 2032.14 4992.24 4592.43 7332.1 8799.45 6500.97 10056.29 9733.38 5732.84 7978.53 275.35 263.12 1014.87 297.27 919.96 505.16 176.74 N-Acetyl-L-phenylalanine 10721.43 22566.12 18627.12 20313.63 25222.96 30354.1 19629.72 34907 28663.88 41888.23 21593.4 15989.96 30138.58 17942.42 11587.81 26106.8 22996.22 38520.56 21862.41 35638.38 23253.63 31297.54 27974.51 18169.56 20242.69 15626.9 20344.63 25069.79 18157.91 34041.67 24283.98 15290.55 23744.23 22529.21 18362.39 19735.35 17321.44 12662.57 30354.22 26515.8 20640.46 22235.54 26852.43 29756.35 15844.36 64478.25 41959.04 59776.32 28345.01 16355.58 16085.11 13622.51 28458.28 34793.95 26170.95 60055.3 34844.5 37193.45 29780.84 4338.79 42938.12 45524.61 22477.68 50396.86 55715.1 33642.47 28232.8 40930.95 51898.57 68021.1 46826.44 74874.09 66386.52 45279.4 5117.84 3782.52 6529.35 4054.25 19532.13 17151.64 18355.99 Phosphocreatine 32267672 30371248 72059872 33787348 31063670 53421820 66818684 39645796 70396456 20991336 32265174 29474150 65647856 91527544 48928944 83371104 65755308 56281012 43977828 55393316 60873436 50587460 46188476 51768736 55229380 38835048 14848605 19706748 20136820 16958630 14886501 34979668 24805072 19884166 17103592 9767632 15244507 15105471 24187514 14414083 24818478 22483610 25315142 28308822 25124976 17683424 11662453 18403254 12299364 19585092 15231745 21618954 5855.29 4659.4 3812.49 3547.05 4778.06 3482.2 2312.01 1212.38 2125.93 3512.54 1722.55 3495.38 1643.93 2427.1 2796.47 3235.2 2254.73 2044.97 1756.29 2225.6 2204.73 1382.92 484.15 428.45 375.13 702.85 13897.91 0 0 Indoxyl sulfate 706549.31 668740.56 440858.84 1158473.25 611126.69 682750.94 1189695.12 632292.44 498709.59 478647.09 1385786.88 629347.44 653988.12 673171.31 599532.44 2617632.25 1296253.88 1005170 590870.69 1327953.5 1870815.62 1703900.62 961186.25 778931.19 751462.19 760974.56 954073.69 3285216 676475.81 1582495.38 817256.31 822225.31 1111619 1156978.62 516342.91 908689.25 1249829.38 659003.38 923225.19 627000.31 882347.25 1946616 1304149 1976191.62 590791.69 1110781.75 1182584.88 1089335.38 1057073.88 766631.06 670250.25 784588.31 226506.67 495396.03 160832.55 1026941.06 675555.75 757715.25 1161176.62 799.44 595731.5 717331.19 743880.94 465508.09 761156.31 683545.19 1709687.38 2419323 1801501.88 1139337.75 963941.44 1421373.38 2398310.75 2537008.25 137609.36 152582.16 116092.93 187120.88 521.34 237.15 520.4 Tridecanoic acid 749991.06 664048.94 823593.19 3106254 448988.88 1427724.38 572585.69 458687.75 515026.62 410505.38 1710753.12 4059187.25 528388.12 1017403.31 762933.69 552026.56 554941.81 622886.06 497862.34 671097.56 540385.06 683286.19 839166.25 512643.38 657571.06 750756.31 1285121.12 2491495.75 972563 1984612 589524.88 493301.53 487384 865011 611781.06 744395.06 1150736 683585.06 715787.69 481707.62 452108.41 525490.31 430378.59 607595.88 504779.5 385502.84 395003.72 330137.25 540262.19 560028.5 739012.44 712393.31 181983.19 186658.67 125696.69 159377.14 146664.17 126982.44 142129.12 151009.27 182815.48 125692.91 141380.19 198119.88 134560.95 190651.23 204464.95 169152.8 177357.64 162670.09 142220.69 151100.61 153172.84 115038.77 30160.48 26723.84 34886.29 28019.38 580578.69 350304.16 323859.28 N-a-Acetyl-L-arginine 4761.77 5231.72 3500.17 4294.15 3087.96 2523.56 3023.09 3096.2 3740.97 2278.25 5284.95 4936.48 6242.74 6556.12 4680.05 8746.13 4487.67 6861.23 4458.65 3101.64 1892.04 5926.61 5552.1 7329.26 8223.26 8114.82 6706.99 6540.89 4301.46 3931.98 6252.07 5114.99 6017.9 4539.55 5368.05 5542.54 4865.83 7548.09 5533.25 5795.47 5053.14 5543.9 7321.81 7842.53 10763.62 3401.72 3868.63 3285.22 5935.98 10737.38 7347.11 12904.52 160.07 0 0 0 165.61 0 0 0 0 153.94 148.33 229.32 440.84 0 0 546.98 196.73 725.02 417.1 564.07 475.81 1198.43 0 0 0 0 0 0 0 Pantothenic acid 1540362.62 1806878.5 2385826.5 2109009.5 978177.94 2859032.75 2606898.5 1992345.12 1542521.38 944371.81 1623759.5 1548351.88 2054008 3242455.25 1033470 3724462 2274768.25 2183398.25 2225484 3627634.75 3011902 2782946 1672712 1442012.62 2844394.25 2453331.25 5898344 3503920.75 6439124 4595030 2480346.75 6572228.5 4460511.5 5177918.5 3059634.75 2937090 3763869.75 5281979.5 5880776.5 5531243 5520617.5 2847150.75 3155365.25 4365775.5 5818598 3897402.75 3346683 4948934.5 3359790.75 4324350.5 2475012.75 4307761.5 12423.1 21442.08 9761.19 26012.17 8400.08 14595.96 18131.32 675.8 20823.89 16990.61 9116.89 24186.63 25685.76 24789.98 36042.16 10954.62 19438.74 25338.86 26506.08 36543.18 19663.52 27413.25 3170.06 2549.18 3683.66 3724.46 1706.52 137.01 183.75 3-Hydroxykynurenine 26189.85 37842.14 29531.64 26609.96 23259.42 25013.33 24028.52 21385.52 21703.04 20706.64 24946.63 31047.22 16331.54 19195.93 10196.5 37909.31 15526.36 28140.42 19981.95 23334.19 23589.44 23252.78 15119.08 17376.29 24763.75 24557.23 19847.14 22053.88 23138.87 22712.79 21425.17 20522.43 16044.48 20590.23 15231.41 22912.91 17490.03 27617.94 14467.77 12617.43 17037.15 14309.96 12886.88 18138.15 13978.55 12404.8 13756.18 11347.32 9828.84 15299.97 16388.92 18562.73 5470.08 6747.65 2884.84 6257.08 5795.49 5718.74 4413.29 170.01 6251.03 4983.08 4035.48 5815.3 4164.21 3727.19 6716.5 5296.94 3792.77 4563.18 5277.11 5283.72 6092.43 6232.24 262 666.89 654.44 669.04 218.56 180.91 162.43 FA_C14:2 991164 341150.84 398097.12 1082879.5 642228.81 690530.81 295048.59 364676.91 348735.59 248888.61 692137.06 1119372.38 56830.42 361236.88 177445.58 621893.19 265783.53 113934.26 294325.44 85964.41 315485.75 102981.85 735741.5 420392.88 589864.06 310235.22 2363212 1363674.88 816977.56 1013739.19 2286749.25 667370.81 415032.91 849278.56 642740.56 2573995 823397.25 1207830.88 184350.38 555141.25 452700.5 716103.25 374977.66 387398.62 992351.19 73736.78 423528.59 150313.06 695086.56 1351270.38 1663822.12 977297.75 997079.69 543337.19 302831.5 536365.81 1151485.5 519020.28 252813.58 5477.33 641028.69 700441.19 442444.38 396576.75 39440.44 393587.5 512126.34 630777.31 326108.16 101839.79 477837.47 52413.49 424924.72 135627.44 49920.36 60124.16 90541.41 76267.41 3725.13 6346.92 4726.28 3-Nitrotyrosine 15938.1 13777.57 10580.49 20410.18 8336.42 16060.86 18669.32 17932.91 18395.95 4099.13 18999.78 18003.12 18309.85 16753.29 19079.72 12746.33 21150.45 14944.02 16338.84 16337.49 17577.06 13891.79 15346.8 17470.98 18463.19 18696.35 19146.4 13824.66 19883.52 15731.31 17237.45 13478.33 16752.66 20185.47 16263.74 18666.34 20577.66 17645.86 18158.12 16996.09 18776.38 14742.02 21939.18 20784.65 20839.65 8967.22 9645.38 5876.17 16006.26 18244.25 18395.58 20597.66 1927.23 2324.31 1095.68 1537.64 1707.24 872.75 1592.78 634.25 1308.38 1017.83 736.98 1681.42 779.97 994.67 2022.73 1723.29 1728.6 1724.13 1408.53 2240.34 867.96 1880.02 726.37 787.17 688.71 782.94 3614.82 594.15 531.72 Carnosine 62360480 63050844 48461888 63280604 46723692 50665972 56272076 50880976 39212932 28185710 51658352 59163188 78191960 84237336 50954724 98103040 63595804 68221384 64783924 66746432 69395240 74103976 53741792 65392028 72301104 68371600 4793878.5 4349418.5 4278132 4855051.5 5001312 2741080.5 2550775.75 6313798.5 2371794.25 6779318.5 5496835.5 7258614.5 4144070.75 4622504 2028713.38 3722334 2844181.75 4730179.5 4511067.5 2115175.25 1915352 1716105.88 3561716.75 5808964.5 5760040 4198514.5 8275.45 9680.8 5128.12 7280.47 6597.01 4466.5 5374.69 2456.85 6705.91 3945.14 3523.91 5037.92 3611.83 3688.29 6433.3 7636.99 5397.06 4598.16 5358.83 4657.78 4526.65 6397.95 354.91 1066.99 1180.71 471.31 4623.33 217.41 255.76 C14:1(Myristoleic acid) 3296383 1798295.62 2987489 8856775 1566811 5224351.5 1535822.12 1337975.88 1356583.88 1430091.38 6297609.5 9094932 441046.25 2300194.75 992603.31 2251474.75 1259575.12 658376.81 1254160.88 955501.25 976451.5 920827.75 4410528 2121283.75 3416485.75 1186664.88 12118309 8588171 4720572.5 7280367.5 3468299 2630597.25 1490414 4473024.5 2581796.5 6507500.5 5935659.5 3184545.25 1555237.62 2402840.25 2261685 2724590 1629920.62 1558490.62 4032089 596401.75 1168880.38 1065094 3817716.75 5268382.5 3991496.75 3106027.75 3584808.75 1313143.75 1276154.5 1711650.12 3117797.75 1823427 873902.81 78381.03 2830972.25 1850800.12 2017850.62 1115297.62 160162.31 1753742 2267090.75 1846416 1286226.88 230684.19 2174962 264237.03 1310661 812673.19 256528.8 264583.72 292613.5 246101.61 53684.99 101180.32 95216.03 Deoxycytidine 48159.1 43862.82 33009.15 61378.47 40920.41 41035.19 44614.46 48569.03 43778.78 40318.79 63699.02 39785.64 38228.81 43967.89 19066.99 77016.24 51849.86 33530.42 48551.78 39412.69 37782.77 60233.98 47888.84 41022.28 52992.05 34397.89 40002.96 53310.83 37638.06 47296.48 40051.58 37693.43 36041.03 51030.67 36062.27 54119.56 47336.93 37884.95 41070.25 34701.76 30200.2 51075.44 50264.46 36878.11 46127.93 32326.74 31772.87 31961.34 43932.21 32761.46 58551.12 32221.68 5413.17 4711.22 1748.79 6547.21 5823.85 5213.41 4090.82 170.38 7249.18 4647.76 3574.59 5315.28 3917.19 4602.12 7723.22 8438.68 8119.59 4278.78 9679.28 7054.62 6786.95 9459.69 510.29 615.64 646.62 914.38 766.87 0 158.81 Deoxyuridine 303174.97 264628.34 199331.38 250099.12 396499.22 197253.67 243684.33 332557.28 367295.5 376057.34 402467 284881.22 305936.59 394811.5 196403.06 565154.94 333947.47 317018.78 421747.59 247240.64 255319.11 438585.91 343083.41 342506.72 275846.47 344371.47 339258.47 225095.14 166034.48 242974.55 398790.84 188646.38 206621.5 314960.78 314969.34 375120.5 370086.22 311377.16 295298.66 297170.62 257005.31 429698.09 283481.62 298546.28 416544.72 179653.89 193355.38 302904 368570.28 323077.78 240219.88 220114.77 99894.88 67949.13 24127.31 71006.33 120127.29 50469.83 59340.29 269.26 163312.25 99192.18 81843.18 102569.06 81248.93 108226.12 135676.14 184325.94 124373.95 97004.35 221196.06 105258.96 98240.75 178627.17 12964.73 11603.46 12396.38 17990.7 2207.75 227.27 259.05 C14:0(Myristic acid) 15001637 11413831 18163182 20460882 10316024 18595358 14565833 8934843 9566535 8260730.5 31635792 19017762 6879749.5 18593318 10690201 15177749 9933285 8174410.5 10989055 11910288 9063126 10011332 21878640 12468920 18676350 11914991 48100796 31992578 24821408 26004048 13852184 16197717 12141153 26997142 18176634 19679198 28493088 15591995 14809092 13755561 15776067 18093406 12061471 12463931 25281030 7011158 8095760 7899559.5 21373556 23931990 21106326 18282012 15559295 10785460 8881366 10276653 15429169 12362463 5594309.5 1921376.88 15022509 7062668.5 8445783 11667093 2981371.25 8409427 11659883 13113560 9902316 3175693.75 13109651 4325159.5 10390429 6717885.5 1312881.5 1239572 1648823.62 1203647.75 1770894.38 2086485.12 1855115.38 D-Ribose 5-phosphate 390923.91 342260.69 351624.72 285904.41 238126.77 318851.41 271534.09 191876.67 233713.62 267467.75 385523.16 320931.69 247205.42 200928.75 330245.78 214459.8 189125 193016.98 259361.2 240594.08 198759.73 235928.42 362928.75 246778 481489.12 345284.22 619080.94 549478.69 415739.03 430102.88 394534.47 244287.44 283279.47 381329.75 298154.72 365174.75 420087.62 604777.25 314844.91 201110.14 213146.2 262429.41 195155.62 299491.84 207823.23 279725.16 276872.41 282362.16 384433 252252.38 357622.66 211384 5250.88 3828.88 1617.6 1718.29 2607.66 3101.61 1005.15 514.27 462.47 5977.47 1629.12 4892.18 2538.23 2125.51 2633.53 719.74 2526.39 1826.6 1243.99 718.07 1289.4 927.27 622.56 662.78 917.01 620.99 3593.05 750.78 1128.61 FA_C15:2 222818.86 453071.97 260044.67 1800501.88 479679.28 1681618.88 171473.66 152415 358799.25 150842.64 546134.19 1345888.88 70544.65 163190.06 49872.2 491017.38 196775.08 106918.84 158487.05 148135.33 375303.91 130114.59 357569.41 160571.17 333968.44 214577.8 888578.44 1460149.38 361079 1176872.62 1093665.88 217342.83 163817.12 375379.09 578887.5 605398.06 353918.59 515091.5 147639.48 202703.55 116826.65 652048.25 216091.12 234300.77 325287.66 158295.14 379839.66 104071.88 318107.34 302510.97 597388.69 538746.25 184357.12 437414.62 91342.46 419090.22 574771.31 180643.88 110427.94 3980.5 490374.78 229210 46600.03 168791.98 47948.92 119560.05 91854.37 527178.69 183787.05 104012.24 232645.12 168599.64 439625 122080.04 21418.91 19611.47 49825.75 30720.01 5594.24 3932.47 5180.51 Dihydrobiopterin 14835.64 14589.08 12897.7 13987.51 12731.54 15169.6 16081.75 11880.71 10795.43 6895.34 11588.91 12594.12 12513.41 16357.49 7666.91 18330.22 11253.88 14386.76 12406.5 14577.62 13660.99 15632.53 12109.34 10411.95 19225.11 13535.1 8251.38 14488.73 8602.63 9898.87 7037.83 8793.77 6322.39 8904.85 5677.56 7336.06 7269.15 6032.57 7928.6 7093.51 6480.36 6653.57 5067.25 17667.79 8321.8 6291.98 6776.42 5542.68 7102.91 5562.87 12324.96 6380.2 1246.7 2787.69 1586.76 2197.24 1679.09 2869.98 2425.77 0 2640.7 2645.18 1117.66 2292.96 1939.15 2001.42 2548.11 2748.5 3451.54 3555.62 3868.82 2611.32 3594.83 3199.05 0 0 398.25 177.3 204.39 712.5 264.87 L-Cystine 28803.65 27468.17 17123.78 9600.75 23660.8 7093.07 21806.67 18079.94 4694.64 5933.11 17780.63 24643.04 12365.93 14174.45 10379.42 18483.44 3154.35 23871.83 12829.29 22673.35 25933.34 27831.7 8096.09 23138.78 16988.35 33060.76 3853.67 2047.8 2708.38 2182.09 2775.44 2574.51 2508.48 6259.04 709.79 5486.55 2032.12 4171.72 3640.08 2220.92 1206.27 1491.73 1093.92 4110.43 3321.02 891.2 0 1823.76 1690.7 1367.9 2948.92 3293.01 7874.87 9965.93 4228.64 6991.82 16509.54 3312.64 8316.01 147.91 1910.1 13013.96 5606.13 1440.81 2000.37 8812.36 3181.5 15253.94 12446.04 6612.34 3463.79 11790.75 8088.36 2399.81 1100.47 0 508.29 0 0 0 0 Anserine 111960872 98205544 96212712 106640832 82418616 92545528 94625656 83909976 67082580 48639936 93481728 106954040 142917632 147853920 107285848 139002960 116478312 130358336 113728984 121866112 126949768 139254816 111094568 127257320 147016512 127209352 18798014 13126972 14785775 19568144 17198922 13539929 9851081 26186394 7683932 20742102 18789750 19413678 16476336 10419119 8943831 12015776 9403283 19881410 13429731 7750855.5 5774128 8291610.5 11995413 15890675 14635344 13126055 19394.27 15478.42 9472.64 16075.41 12701.01 8124.95 10241.34 4102.97 10354.3 8544.29 6165.51 7902.22 6975.88 9420.57 14390.36 12875.23 8661.2 7077.46 10913.63 9149.6 8741.99 8920.28 1192.64 1825.55 1611.69 2009.78 10091.03 0 0 Pirbuterol 66932.65 57423.32 64088.94 57811.11 46757.03 70095.26 58194.52 49430.7 38789.63 25703.81 70383.09 78741.74 86744.48 111459.73 62586.02 76939.88 84748.32 66426.94 61534.02 111081.79 98849.1 96247.34 62546.25 69808.62 63186.75 62724.48 10266.52 9293.52 4133.45 10871.59 5034.42 7587.86 4313.07 18194.62 1287.58 9432.5 13472.98 13195.97 9379.2 4013.48 2647.16 9813.31 4433.16 7523.29 6800.02 4286.25 1837.26 5202.82 4434.84 8958.45 9263.17 10130 0 0 0 278.91 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 298.11 0 FA_C15:1 259212.06 269050.25 279162.66 698691.44 144368.69 452901.47 251742.88 193534.48 218924.86 216831.45 535283.94 706283.19 130627.91 866024.25 202516.36 247143.3 219655.39 160013.17 163927.36 294323.25 194158.5 247187.08 336085.81 204922.94 220502.88 267464.69 600643 736308.06 388485.16 456512 202471.5 214734.83 178453.73 905066 283170.62 300166.78 400335.16 249722 263600.81 137089.02 196970.02 225809.08 168384.27 213128.62 281857.97 125961.27 143205.86 125513.91 182810.56 203767.81 209209.08 265199.16 146888.91 111284.91 59952.67 109720 118898.07 79881.38 63286.81 51900.88 97085.54 77356.12 63242.95 176357.08 59451.31 90840.54 89885.62 142742.25 96411.48 50822.39 123390.31 38602.9 89460.26 53656.15 7794.15 9210.22 12266.42 12181.07 61433.89 53569.47 46871.24 Lumichrome 31911.54 34017.18 31402.07 33848.79 38359.08 42448.2 199193.05 70525.7 58014.36 93153.52 43815.54 24813.75 28794.66 38600.44 139479.27 148365.55 57006.23 42703.23 28931.87 26344.12 29754.49 44914.27 255470.8 125529.19 61332.29 34149.02 41660.77 35702.03 36510.18 42638.38 525613.25 205133.44 80273.19 64923.66 44511.88 40250.36 33167.54 59082.31 431730.62 302816.34 60510.34 48425.17 93946.04 49259.55 72955.78 161248.27 575177.94 858764.06 562571.94 595424.56 655647.06 991214.5 26354.28 44821.36 17888.13 24977.81 28310.09 24226.88 26260.34 50981.86 32652.96 20305.9 21375.52 25152.22 24502.72 23536.16 31735.26 38864.14 40259.03 25079.9 33432.54 31280.1 35315.45 34377.33 2960.6 2423.56 5895.23 2806.06 30446.71 32789.5 37480.61 Thymidine 233380.42 177338.33 113600.22 185467.86 248849.31 117819.31 177756.12 238903.67 220948.58 241732.75 354276.91 280312.91 242791.2 319521.75 153422.83 410478.41 286409.47 260438.61 423247.62 194558.25 213822.44 548027.62 315959.91 293945.75 175659.89 217556.08 206170.86 189117.23 124491.16 168620.36 262391.06 103738.48 132759.36 236466.75 176971.33 271323.41 260186.23 219366.23 223716.17 217158.81 180246.69 267831.69 215077.36 215869.77 332031.78 125115.15 120055.68 238152.3 228789.25 241151.45 187132.92 182823.06 54834.61 44474.91 17702.71 51323.48 78614.04 31285.31 36567.62 2255.55 84973.57 60352.41 51930.66 64325.73 57420.01 72299.71 93009.35 113903.52 79014.19 59698.26 129395.9 51908.38 54384.11 129534.96 8291.91 8655.58 6645.82 10897.86 572.04 1184.22 2499.13 FA_C15:0 4024833.25 3738795.25 4009697.25 3807319 2712964 3528326.75 3927244 2852108.75 3429792 2907419.25 6589000.5 4453772 2704789.5 8320648.5 3626130.25 3649768.75 3289022.75 3581438.75 3188083.25 4301996.5 3732451 5107225.5 4420662 3513397.25 3496912.25 5153363.5 5959257.5 5169706 4635948.5 3925379 3761690.75 3653104.25 3165879.75 6740264.5 4195399 4102288.75 4661185.5 3453807.25 4300807.5 2752527.25 3150912.25 4031092.25 2813747.25 4117995 4400403.5 2518092.75 2634697.75 2279030.5 2761402 3445274 3650826.25 4235197.5 1422758.62 2456782.75 614828.94 1503824.62 1203468.25 1259217.12 796879.19 991302.69 1331700.12 1196880 1021490.19 5266387.5 1779249.88 1223760.12 2055461.5 1683241.12 1332652.62 1200458.38 1272088.38 1056763.88 1096426.88 1091348.25 139962.62 132564.95 207241.42 188292.81 1277539.88 779787 677324.69 Cytidine 195542.38 139595.55 88647.7 159191.23 141786.69 77125.45 130728.91 140026.17 110756.75 112765.66 262964.81 156720.48 47794.9 147406.89 58236.58 201724.69 145751.38 61474.95 64172.96 53258.55 87224.41 74906.72 309128.25 155474.31 308241.47 104516.1 349292.03 315326.91 239533.92 231728.31 381265.34 64244.48 72929.72 236269.05 117998.44 350928.5 263277.47 332147.47 64359.42 76741.1 84153.72 93600.7 90200.19 88015.65 74052.9 31414.69 78526.41 35193.88 199461.64 142414.69 299560.03 131724.2 19201.16 20994.68 6417.02 21993.33 15287.72 14081.43 13277.34 312.1 23811.8 18804.02 9894.31 19336.19 11180.22 18308.99 42162.16 26183.02 35850.33 17130.23 40040.92 23852.22 24328.91 32299.44 2463.94 1122.93 2833.27 2313.38 1183.68 489.95 316.19 Fucose-1-phosphate 464881 437465.25 258949.11 367758.88 401359.09 304371.09 313593 300187.59 334559.22 200688.06 477585.75 320309.66 200704.31 297875.56 121346.3 460304.75 234383.31 372665.53 265306.91 346495.47 435877.78 327953.84 268684.75 415090 442825.5 443872.34 1023768 935726.25 986507.81 828983.19 1397709.12 881149.81 515871.78 1087147.25 624670.44 963978.19 960526.75 972937.75 276284.56 381334.09 374094.84 528096.31 348482.72 642800.94 550842.06 213758.58 299837.25 184700.88 461698.66 746842.5 572592.75 850558 1942.69 3020.4 923.21 1986.77 3271.78 4040.4 3230.77 299.25 16733.06 4348.26 1729.29 5213.69 3938.95 6286.41 24059.17 11700.21 12342.58 9325.7 8738.67 15829.85 11742.16 17810.63 215.97 332.65 241.4 227.81 1563.15 4400.45 2667.78 Uridine 1502941.88 1763762.12 1327240.38 1881406.88 1644373.62 1217131 983253.06 1016367.19 1137308.38 1084482.12 2412962 1720391.62 460716.09 997342.25 474279.5 1521843 1045064.69 550490.44 767838 523759.5 827417.31 620130.44 2080772.38 822328.94 2798224.75 766852.69 3693148.25 4213536 2989932 3802387.25 3620349 1280622.12 1392860.62 2148394.25 2138668 3187018.25 2664781.75 3393677 932143.06 1319148 1229482.88 1680342.38 1550214.38 1197421.88 1314271.88 839397.56 1588025.5 630784.25 2994891.25 1558016.88 3178902 1418352.5 358390.16 305864.06 95141.75 313126.09 292962.41 242419.83 214239.17 907.62 266183.66 406825.22 200088.92 334071.75 167019.39 304017.59 395728.25 382846.97 347071.62 221912.55 415051.97 269384.97 318330.28 510099.91 20834.9 12984.33 33913 18737.44 838.3 203.58 265.83 Biotin 15134.57 11594.11 6771.11 13632.04 10947.76 6783.62 12160.16 11180.94 9098.11 8959.95 22165.89 14730.19 3771.54 10841.65 5320.57 16954.41 11965.6 4951.75 5079.38 4417.36 6083.95 6194.28 26858.82 12513.35 27477.3 9302.02 29097.65 27979.31 20941.02 17707.56 31245.15 4592.44 5917.06 17930.59 9889.52 29816.19 19810.15 27914.78 3979.59 6109.2 6108.74 7777.49 7232.9 7177.53 6267.72 2425.2 6770.24 3025.23 15551.65 11450.25 26241.83 9636.06 1490.48 1658.26 223.4 2049.71 1841.93 874.62 1044.52 0 2264.27 1379.06 1053.66 1858.63 1003.36 1542 3536.68 2662.3 3384.82 1596.12 3304.38 1997.6 2459.73 2770.68 0 0 324.22 0 0 181.16 0 N-acetyltryptophan 2224.25 3518.01 3251.74 3716.8 5334.08 2477.26 2153.84 1488.77 3370.11 2830.46 6709.13 1841.62 4147.16 3579.07 1547.03 3890.67 2638.8 5215.53 3853.92 1966.96 1872.13 2014.77 5492.92 3793.17 1825.67 2370.68 4642.16 5114.81 2268.81 5313.74 5939.5 3710.18 4847.31 4743.64 2735.16 5395.54 2973.14 2421.61 4705.16 3489.57 4168.63 3621.14 4273.81 5687.92 1454.77 6165.46 3248.73 5127.54 6275.28 2823.82 2848 1999.61 9407.68 11856.54 6473.89 14591.48 12721.82 8919.68 9428.83 2584.65 28167.97 17252.42 10554 15641.61 13635.29 19893 29380.3 24520.22 33214.61 26188.36 30229.8 49609.93 23001.11 19666.8 691.97 207.09 423.76 252.74 3734.36 0 0 Pyridoxal 5'-phosphate 3721.43 3143.53 2908.82 4202.8 2176.88 3328.4 1935.09 1158.43 2461.01 1936.03 4236.42 4999.08 2456.82 2935.75 1183.73 3296.04 2943.17 3306.19 2936.77 2151.84 5870.21 3127.33 3598.52 2575 6758.1 2674.01 6419.35 2154.45 2393.69 1745.46 5902.03 2038.6 2777.53 4805.38 4107.01 4360.08 6096.03 5890.88 4027.68 2903.47 1157.53 2790.3 2640.13 3371.82 3696.24 2822.37 2501.41 2250.41 2532.31 2005.01 5503.66 4937.33 0 0 0 0 0 0 0 0 0 0 0 0 243.21 0 0 0 0 0 0 0 0 0 0 154.94 0 0 0 0 0 Pyridoxamine 5'-phosphate 4248.46 11655.23 16813.53 9798.89 7248.3 8191.47 19182.12 6656.73 8941.98 5866.33 11516.19 13013.13 18176.56 16812.52 5436.08 30472.76 23361.32 25695.55 13502.43 34687.12 22186.2 30717.27 24489 19785.33 27360.99 8559.22 40899.61 57062.97 65000.43 51347.56 63421.72 43069.62 39560.62 59830.23 51018.96 53745.66 46642.12 57872.12 49755.06 27667.56 22362.67 46211.86 37209.59 44218.36 48693.46 27625.82 25544.28 14818.31 39106.71 46062.12 61147.24 50902.78 1191.05 1089.51 1275.13 2369.79 664.38 973.36 2376.86 1164.71 1086.85 1171.85 730.64 1689.66 782.24 960.7 547.47 1780 564.73 932.68 674.61 1795.9 1534.6 1032.65 1486.57 1765.45 1819.87 1715.71 512.7 930.75 473.05 Deoxyinosine 0 3352.05 4260.85 23678.74 0 7157.13 6988.38 2013.91 0 7920.83 43360.1 0 0 3986.17 0 0 0 0 0 0 0 6088.1 0 8873.44 8544.08 0 4587.3 17517.66 0 15710.71 1539.31 1344.89 1533.97 0 13055.47 11506.51 11968.35 1333.58 3498.95 2582.98 715.44 11191.92 14276.99 3997.57 0 1451.16 850.6 3479.72 1935.57 0 39214.69 7322.59 762.83 226.72 277.79 1516.14 0 0 207.18 0 0 226.03 275.9 0 201.34 175.93 501.3 363.8 0 382.95 0 0 0 0 207.87 172.68 191.99 155.12 164.59 0 202.12 FA_C16:2 667498.25 402285.78 460149.78 2281971.25 336201.5 1183223.12 324087.16 201910.86 213942.19 261320.88 1129955.5 2292502.5 157585.31 334826.12 167926.09 330932.72 261391.25 128527.28 202787.08 200400.83 144169.08 154159.92 613708.94 313876.84 407027.28 208738 3161801.75 2059979.62 1067201.88 1816014.62 853102.69 559246.19 444358 843468.94 428418.53 936758.81 855298.31 556002.62 426973.91 393897.34 538388.88 509850.66 336670.69 372120.25 788424 224289.3 266845.09 220542.88 555012.19 675611.06 659301.56 513398.22 755723.94 345228.53 148076.81 464304.41 651254.25 249491.56 162320.75 15790.07 293928.19 245608.7 300622.84 227687.83 69699.49 269399.28 308463.78 406585.5 262173.97 75352.6 351473.34 122136.37 239180.95 168342.42 31649.92 32478.85 44920.98 33016.74 7042.2 10179.4 11485.11 C16:1(Palmitoleic acid) 54838892 40667348 65016252 89108864 31269798 77180960 42812944 24497984 30976064 35037316 133360032 79900352 14263059 41161600 19172730 59068576 32366426 15954245 26342118 31492928 22770902 19335122 82313568 43967764 97660888 22268566 241197296 168657888 122728104 143423488 67396440 57599668 40817628 118737440 76022464 90032736 126653056 71840680 37621392 53731684 56768428 68812784 42124272 39880352 101925800 21228776 24815730 22214360 98771256 112858464 88433272 74855960 65065772 30953144 28654550 39314732 69034088 38364852 14519445 976505.5 58627008 29041838 33719796 29032202 3333063.25 31330912 40554492 56253124 43905904 6848358.5 50214324 7580497.5 35386516 21477022 6390144.5 5566954 8826841 4380274 319853.5 303578.78 310306.72 C16:0(Palmitic acid) 221668496 183743872 215272144 258007056 173600624 249034096 260202448 162496352 154140320 129196992 377154208 288608480 154032752 224215664 171098448 275491552 170600640 210942768 228631728 203236112 166384768 157906752 245857136 206262080 262912848 177509888 529984544 359865248 273948448 311294464 277237504 196017920 202642640 337691104 241298864 269674944 343569696 243121408 203808752 182304704 195006896 251101712 202392832 198108608 296498720 127724640 123671272 117893528 248327808 335833760 281559264 273627680 187391104 154485360 85591160 181284464 204451072 140478688 85963096 48068020 170833472 97760920 100369024 151597456 73337880 141048784 165599632 198626352 176215600 118070720 177007696 119999272 174135632 125768104 20315980 19768640 33212038 21937728 39015284 49171392 49279308 Glucosamine 6-phosphate 529434.5 588145.06 900679.19 509631.25 440588.88 885802.69 1153485.88 651543.75 797227.56 409129.03 919503 864560.31 1147250.88 1135492.12 782810.19 1650247.38 1037326.94 1203501.62 1198284 1898051.62 1239364.5 1447855 1713080.5 1004722.5 2224336.75 960687 227465.45 478658 709829.94 383476.72 178406.08 608338.56 728504.81 535877.5 466724.97 278608.56 241298.75 282422 909736.56 402908.47 461971.34 589200.81 448779.88 996399.25 604733.88 790672.69 576746.94 565114.81 617305.81 435442.88 661112.69 375803.12 11073.2 10483.95 8638.55 6455.12 6200.8 5143.16 5811.2 3400.47 3139.79 3755.17 4167.02 1807.23 3119.99 2661.1 2991.02 2013.95 1586.42 2299.84 1640.05 1755.23 1520.28 2414.57 1364.14 1615.14 1774.58 1389.02 11143.16 0 0 Hexose phosphate 75841672 67272864 111461480 61798524 48911156 107419104 105809704 54007236 66740908 34675824 77688016 72749208 94943136 100458024 74563384 104098912 73837984 80194944 83432568 130950464 81548264 96573720 113721152 65563252 120250816 72226408 14925677 30976976 51105052 25754622 11373412 38739212 45642836 32185182 30636886 16583221 16641013 21020762 51651856 22353226 25420198 33698308 23701248 54430428 33276504 40795644 30287110 29903730 33793832 23539138 32422048 19923190 91328.46 68643.16 48232.93 44325.29 36999.05 34257.21 29304.32 23170.23 26383.91 24572.89 18689.74 25428.22 17407.6 16466.6 26069.97 20248.23 19746.64 18843.53 23687.3 16106.89 17121.17 16457.84 8691.39 7923.72 8419.09 7413.33 177739.2 777.75 501.63 Mannitol 1-phosphate 80828.12 67726.84 60327.31 57120.1 51568.56 48923.88 71720.84 37990.62 48635.75 30412.21 52248 92323.5 49821.28 58301.29 34500.2 88935.06 61330.36 52954.45 58291.41 76443.24 58330.29 59192.76 59121.92 53998.32 74320.33 36700.61 40977.36 110479.85 105333.59 51014.99 47797.63 64525.84 69350.76 56039.27 87712 69380.49 31781.19 103148.06 120117.02 32069.94 48529.1 63513.54 55818 85823.29 127641.48 74185.27 52342.19 35381.75 53530.56 63559.92 110875.12 55303.8 0 0 0 0 0 0 0 0 0 0 0 0 0 214.21 148.99 0 0 0 0 0 0 0 0 0 0 0 0 0 194.67 2,3-Diphosphoglyceric acid 127540.9 142181.42 97607.38 117722.88 83220.18 115920.29 183431.06 74913.48 111785.77 32062.25 119379.06 139195.83 105773.23 161325.06 58613.93 200803.56 156234.08 152146.7 118674.84 162591.75 184274.36 150464.14 146741.69 138236.3 202422.3 146981.2 107036.76 140365.88 120423.6 110459.09 117416.5 98733.72 74024.92 112591.4 78678.95 118874.99 87148.28 130794.48 112458.62 56743.66 56758.84 100870.16 74384.54 119199.88 95967.6 53336.13 38068.77 32926 99253.88 104314.21 141978.94 124456.9 1084.45 0 0 0 0 197.37 766.01 0 0 0 0 0 267.71 0 921.29 612.97 2619.08 0 1842.83 2623.51 0 754.95 0 0 0 0 304.64 0 0 FA_C17:2 45524.34 61589.47 66522.14 140477.97 28523.63 123926.74 37740.61 24916.47 12528.11 14774.7 141438.48 160026.8 10029.04 50249.28 32531.58 36326 26174.62 16574.96 20789.76 34896.39 30133.25 36920.71 87686.41 24181.33 65489.53 22459.95 263368.38 214726.17 150503.2 177042.94 58832.12 86562.27 55106.39 140224.7 70020.87 86496.49 126798.35 74164.63 65559.62 28410.83 61830.09 80604.89 62234.16 47728.52 106866.44 24113.81 35677.49 27808.9 75293.99 42190.61 85891.66 54602.95 59590.5 52745.44 25828.14 41916.19 60094.2 52336.3 27793.59 2879.91 49936.99 17643.49 20377.33 36733.98 6529.97 9000.77 53432.61 56625.11 31194.02 23282.66 61360.21 12424.44 47158.41 32481.46 4574.15 2476.76 4991.62 3214.36 4957.99 2520.65 1596.05 Adenosine 900907.94 1101402.88 482031.5 1082939.12 776941.69 714443.25 786926.94 677502.69 717653.5 392345.28 1198342.25 1026948.06 607976.31 576425.5 466687.03 1240878 702703.31 529082.25 820343.19 536565.31 707767.75 907042.75 826779.75 746097.25 948867.19 865302.31 4297645.5 2812606 2208510.25 2934704.75 2989011 1476115.88 1505820 1944235 2031399.88 2704430.25 2623385.25 3111466 1810422 1487477 1321443.5 1804330.5 1585073.38 1592973.62 1532040.12 1050815.12 1823493.62 841671 2189940 1759647.88 2203237.75 1821472.5 10621.13 11528.4 115641.26 10321.26 12478.86 13400.76 11365.61 2289.72 11884.19 12092.23 7435.02 11473.11 11530.08 9396.97 12938.76 13136.73 9814.79 11937.24 13067.26 15161.27 16305.42 14539.79 4492.28 4210.87 6957.28 7023.96 982.52 380.76 164.21 Inosine 1810863.38 1571669 818697.69 1810910.62 1211330.12 821405.75 956478.81 608544.94 712832.31 1866977.38 1873183.38 1923195.62 411759.34 568411 213849.5 1236228 646928.56 423219.47 610783.06 594954.56 715782.06 695455.81 1634890.88 748374.44 3958949.75 964739.81 5122960 4978706.5 2806177.25 4066076.25 3548403.75 896079.44 1175242.12 1810435 1752347.62 3097857.75 2586048.75 4263202 1050130.62 901178.19 692024.81 1418337.12 958392.94 996387.75 747648.81 755167.19 1747818.62 592086.56 2504197.75 1263336.5 3028413.25 942195.31 16685.67 58444.23 29999.89 56322.2 24149.56 27980.93 31322.53 6104.23 113508.54 51215.9 32996.77 35038.95 18423.23 463857.25 107129.38 164026.77 153659.95 73793.94 176398.83 153040.44 213112.61 151790.45 6396.45 7928.13 7130.61 6472.32 8592.47 20840.41 18915.55 FA_C17:1 1451267.88 1156580.62 1292297.75 2292493.75 831726.44 1953727.62 1255197 745976 704237.19 855586 3486866 2090467 494858.78 1740344.5 642951.31 1205632.62 860721.31 612603.44 823396.31 1116272.75 802494.5 882401.19 1556111.38 915827.19 1391820 773419.44 5506344 3927311.25 2610034 3259588 1766985 1546852.62 884266.5 3576702.75 1332686.5 1884451.62 2309958.75 1679008.5 1060868.12 1021621.5 1081664 1771207.38 951874.69 1162273.88 1649828.38 606353.5 645056.19 632051.5 1500599.5 1958861.88 1571529 1454027.5 1496844.5 892540.44 333669.84 1010457.75 1080396.5 655133.44 302530.78 140487.36 712318.25 600652.19 869376.19 935353.31 240272.36 627632 638801.31 1130084 708236.06 311536.88 1140734 350221.59 740500.94 555435.44 76870.63 86013.79 164600.88 103506.84 154465 64032.12 53139.24 FA_C17:0 3431070 2488514.25 2700127.75 3225610 2852829 2480910 2771375.75 2003790 2091203.88 1858607 4806607.5 2940519.25 1924719.88 4439989 2434051.5 2788880.75 2072804 2524863.25 2672304.75 3003939.75 2375763.5 3408724.75 3074372 2782929 2995582.75 2869691.75 5076913.5 4107374 3482531.75 3063472.75 3181464.75 2588920.75 2136647 4083353 2675025.25 3212311 3961640 2680437.25 2889738.75 1888952.5 2263921.5 3346881 2511223.25 2977106 3222635.25 1579903.62 1721796.5 1890477.12 2524308.25 2982633.25 3782134.25 3557240.25 1698171.62 2429215.25 702191 1709054.38 1519540.5 1485550.88 877461.44 870592 1618126.88 968529.31 1090475.88 3200160.25 1508705.38 1514144.88 1932201.62 1869626.12 1522828.88 1479190.38 2349281 1329861.62 1612732 1520645.38 158964.53 196278.27 292011.78 263974.84 1358612.88 869124 871844.31 6-Phosphogluconic acid 52871.41 43306.43 54281.38 28309.4 35494.07 63931.8 60193.61 39657.77 58611.04 51104.87 53666.03 50617.18 45562.14 42196.32 61834.89 45628.8 52668.86 46766.08 58472.47 56096.54 49513.61 65485.66 77835.16 56200.33 66050.33 61363.84 26671.85 30328.45 38552.86 29723.78 18857.44 33390.5 36722.69 36458.9 31789.99 29010.91 33608.44 30458.33 47118.46 23163.04 29828.84 24376.98 26083.66 38673.54 24690.21 43398.46 37581.43 46478.49 35473.48 26266.25 31573.09 23225.34 281.6 438.08 228.92 0 0 0 0 242.1 0 161.66 168.98 288.38 0 0 233.37 0 0 0 0 0 0 0 0 0 0 0 1015.79 0 0 FA_C18:4 122946.01 81898.62 143045.58 191779.95 110811.69 211189.19 113973.16 58905.52 53214.89 29130.99 260181.2 199338.56 35376.68 134030.27 77966.92 103920.25 85421.54 47045.95 69020.12 53138.45 17459.4 43107.17 161365.86 77775.84 138630.11 30253.38 593803.62 674660.69 653107.94 669212.31 954150.94 423609.47 358604.5 737328.94 414158.66 549264.81 579032.81 163135.06 197491.56 540128 519736.03 381776.47 621220.19 308600.72 399924.91 118408.56 190768.42 84778.49 570533.19 564248.75 808572.81 440891.03 198075.33 164513.3 54483.79 197214 265935.34 106180.56 73527.68 15841.56 93417.38 93279.25 111231.02 61782.66 37521.31 127676.53 101667.88 128065.41 182360.55 78177.88 134965.19 46250 79404.11 37947.91 14580.1 10426.14 31162.52 4926.86 9683.71 20289.96 16560.41 FA_C18:3 4691780 3768931.25 4923636.5 8661370 2414736.5 9101497 3670924 1750050.38 1381479.12 1862238.62 9513191 7430003.5 1566943 2573346 1485769.5 4145788 2051446.62 1215766.5 1824260.62 2155808.25 1707198 1418491.38 6543091.5 2086441.88 5464239.5 1338089.12 25105802 17917462 16509407 14999653 7913532 10856760 8203440.5 13357421 7680094 7866860 11082044 6244269.5 6078237.5 6102075.5 8188140 10815128 5687858.5 4877367.5 13056363 3060974.25 4087735 4219058 10772883 9605123 9188492 7934279.5 8112413.5 4735002.5 2747679.25 6697212 7359684 6264666 2909619.25 46761.47 4976465.5 2601211.75 3548389.75 3660227.25 1421720.62 3856601.25 4890900.5 7071026 4665823.5 2223323.25 8957711 2383947.5 4670268 3146339 495029 493062.34 1020459.44 505804.09 25249.97 49085.36 68641.18 C18:2(Linoleic acid) 55452988 45535308 43876252 70479880 32717082 79364608 37521796 18948832 13109807 23162606 98796712 47149364 13844029 22315002 12036476 39718160 25336952 12867440 14684664 22837896 15038015 14455167 54266036 22365974 51660972 13584899 311354240 182422000 128086344 153871424 87579208 71246392 53319456 133002776 54014576 79088048 104093352 81643352 39722692 39098064 53626284 80500512 37520892 40336132 83193832 24775642 25752374 26706778 69272680 90220096 71617920 62431308 101254600 59145296 20283136 86348928 94094696 52270944 28239574 633815.5 55801476 32639800 44639676 39760940 15540479 35546976 48411280 75760920 53036860 22278962 90365192 23450670 50077344 34949948 4774569.5 6378544.5 12556837 7293670.5 205868.7 395892.25 426725.34 1-Methyladenosine 16291.08 5780.3 550.83 8244.35 1383.27 2375.56 5720.62 818.59 0 0 14784.2 4966.81 881.78 6259.43 1053.27 17654.2 5752.68 5208.54 787.73 1991.72 3565.61 2112.3 4473.58 7678.36 10796.67 8192.86 10483.84 6638.48 3899.82 6831.44 19998.16 1259.39 0 12511.93 827.67 15446.2 8018.81 5232.11 709.55 175.91 0 1358.99 490.87 3179.03 1645.57 0 0 0 1821.92 7973.98 7224.39 6962.49 256.67 0 0 212.8 681.34 0 0 0 299.08 280.87 196.47 0 0 178.64 208.24 410.01 328.38 174.7 0 0 0 163.31 186.68 0 0 0 0 0 0 C18:1(Oleic acid) 143945648 100984096 141545472 216235520 88378136 193770256 117724088 52663468 42064180 80448472 305246176 158685904 31175606 72559544 34765284 110202816 69810840 43557584 47208748 79307048 45485388 45802604 151398192 83453368 180059440 38096936 704761280 415036416 260090544 337970784 215203456 125731992 101524584 297185152 141152304 239349936 304657696 215800368 77130728 101719648 118772928 185688128 97411368 95834280 182732288 52918844 50977908 50580048 176485488 258850576 217875600 155196608 189985584 118865792 53069876 144715840 211257520 101796736 54702304 3662150 138079664 99962664 109130216 92402176 23022464 81615880 108130400 167658016 142878704 40564748 145631280 52096404 117511400 79727352 13518480 15698375 30684048 15940561 1094008.12 1418447.62 1461400.12 Guanosine 88481.27 73547.24 47505.13 95079.38 69212.05 32334.26 48081.19 33186.57 54480.72 34414.89 102174.97 68145.59 26786.1 52699.73 18844.79 86182.27 37820.52 24151.42 40976.45 31041.79 31778.37 38190.46 78570.16 38177.57 128211.27 21089.66 184278.95 278648.38 134674.5 283625.66 182598.19 81345.28 87627.93 81119.27 143082.06 158185.95 108103.88 130653.29 69623.79 67200.94 78405.76 114708.59 99835.4 76580.34 73965.67 37152.9 73016.2 38511.52 138741.56 97728.23 181682.33 78019.05 0 496.74 2597.58 0 0 749.86 0 0 0 2333.77 1040.09 0 0 720.77 0 0 0 0 0 0 0 1586.93 0 0 0 0 0 0 0 C18:0(Stearic acid) 98847000 80783040 91990240 85046504 118034216 91997992 114361992 83853784 69586424 55329824 118467400 122245912 89359832 110787976 97000192 110301784 89274976 116404000 113229880 102075800 79629624 86367272 90236856 92926240 97683904 96817128 115017320 91303048 92247264 88099120 114090696 75817928 88738312 102414976 81206632 98833192 121987288 96033800 100650816 67747400 75120000 103469184 96213976 90272680 95823256 72113544 67269296 64730912 88313376 113950264 121971320 127939304 70998312 81993672 42422692 81967744 65310516 50846676 48242100 44480516 88706920 46302444 41643628 66286364 50861364 69706584 81127208 79501472 69740800 86403520 85684760 79079864 85510496 82194304 11104312 10745246 16297493 13955197 36815796 45218336 45305008 sphingosine (d17:1) 110497.55 88311.13 98756 131725.14 141047 80786.97 33337.08 171476.97 99784.56 10970.78 91267.05 75917.59 46889.3 134012.38 160132.94 102009.81 111604.4 83175.51 109014.02 98860.75 99933.8 42009.11 90599.19 106215.24 57669.31 102395.04 74901.02 56375.12 52741.14 65364.25 83244.41 92821.15 36585.57 51029.21 56861.25 75046.43 103077.59 65944.45 120605.48 128071.6 100298.94 55142.37 4199.86 88682.94 100943.84 62039.64 27279.13 9009.74 58850.91 73214.52 55768.58 131851.11 813986.19 813747.69 3722.59 2065128 761392.5 1681660.38 695282 23568.44 1973386.88 764202.5 3241.27 1018281.5 1739592.62 928438 1993612.38 1409410.62 1820359.62 1477555.5 984330.44 2055528.88 959338.69 1161541.88 1468.73 279.34 2868.48 2398.74 6419.36 23751.7 11844.77 Ophthalmic acid 64356.51 69584.3 49865.54 62985.8 45666.23 114581.22 41654.15 26594.93 54117.07 23960.78 91219.49 70142.82 95214.73 67159.35 59441.45 93732.88 26772.82 65789.4 100638.66 37148.03 24995.23 72707.57 49027.5 98386.74 33626.96 70867.74 87244.59 135506.64 105227.96 70383.01 78843.09 47106.47 37926.94 94828.84 59334.05 74077.01 64830.72 75045.22 122876.59 54638.19 117785.19 30454.69 31361.18 90914.96 115883.88 40302.91 20539.33 68466.01 57098.27 118018.35 35578.2 99765.5 3612.87 4810.07 180.79 730.74 1815.8 360.69 842.3 0 1427.1 4022.78 1302.32 16282.85 8815.95 6167.73 22684.57 3529.54 1465.14 6073.45 33448.19 5224.68 2000.8 14052.8 0 1039.69 0 842.92 0 0 192.06 Argininosuccinic acid 29340.6 35397.5 32422.28 30937.45 40470.86 41919.14 28477.96 47220.07 26832.29 29172.65 45588.36 56717.11 43930.01 60393.29 42489.69 56751.53 54686.61 53651.66 28763.52 11920 34943.91 24548.78 47793.11 38420.61 78274.74 31379.55 158274.42 89267.2 91149.38 81722.01 137432.39 84114.48 74557.82 120837.06 63638.42 178321.5 126435.23 106184.95 70352 81975.32 95403.62 82782.91 95322.56 108584.15 85042.57 61649.67 57305.77 39889.68 77144.91 115261.91 93641.57 69990.91 0 0 0 0 246.75 0 506.2 0 758.3 527.34 0 339.62 0 1119.54 3128.93 908.6 1261.74 1495.93 2264.74 0 492.53 2847.94 0 0 0 0 0 0 0 FA_C19:3 9785.64 25770.09 10772.81 60635.74 10283.32 38068.33 37195.15 6688.59 57121.63 4806.47 25453.91 69180.12 18092.08 15165.39 44294.52 27606.13 23077.98 10901.52 10722.22 6076.06 13142.8 17371.1 64119.06 15010.73 43237.66 9191.92 65399.07 174431.56 129364.56 112778.16 208237.81 103737.16 106881.37 74091.05 303488.03 172661.73 33345.3 148049.7 109306.25 76578.23 162531 146821.17 98838.29 123333.6 181231.64 48781.76 89039.4 49247.2 195511.12 247254.61 160202.8 193927.92 4712.8 0 2283.45 14031.7 3242.84 6304.71 0 3476.32 22397.52 566.05 2070.16 1201.62 0 2389.46 1962 4602.68 1812.45 623.53 5122.4 4539.74 17599.24 3359.38 560.1 0 0 0 1716.02 3791.3 5255.44 FA_C19:2 44787.62 53092.06 51157.34 80035.15 36918.33 54632.07 24586.21 11085.05 12145.21 31987.27 126397.02 66560.72 4563.1 29323.6 7757.2 26091.72 9408.67 4845.02 15308.45 31465.84 20462.99 24907.54 47257.64 10051.11 37669.1 11561.36 233978.92 154776.66 111974.4 136197.83 81562.23 63055.75 30123.39 121366.63 35137.51 79318.88 85580.62 41980.79 31779.16 29666.64 24283.34 60594.96 28984.97 16888.21 58397.22 12062.65 9896.56 21016.96 47088.02 54333.39 48684.11 50531.93 41717.22 22688.78 1431.36 33166.89 9999.71 14672.77 6105 1286.56 15028.76 5527.08 11043.55 18357.71 3223.61 9103.27 12074.27 13427.8 15068.24 2490.16 33640.55 2419.79 7415.55 16308.96 0 2490.4 8319.59 0 2163.36 1943.82 1369.29 FA_C19:1 764268.19 388539.72 565756.75 853807.5 370226.62 700532.31 440944.72 211065.92 159592.8 331515.66 1446864.12 596813.19 155144.58 314977.88 208301.8 388333.97 257007.05 213818.17 259933.88 338396.91 243551.36 300457.06 652600.06 330063.84 500430 196731.23 3071882.25 1591375.38 895733.56 1253797.88 776719.06 535234.69 395117.97 1135074 420873.59 862907.94 1251093.38 788065.5 323413.72 368496.16 381309.12 694306.12 340743.59 445484 597250.5 185562.05 238953.12 259786.67 599756.56 853770.25 714687.56 630665.69 489275.22 281085.66 112825.72 367669.59 490113.75 263065.22 135338.05 32379 298454.38 213694.88 294169.84 244494.39 91514.38 219629.62 245999.56 366523.38 308310.53 153819.77 437378.22 165770.92 241390.92 220116.7 22496.23 33228.88 43551.56 52016 101331.7 140580.92 116752.06 5'-Methylthioadenosine 22745.11 34998.57 36731.97 32263.3 31407.73 38095.19 78054.3 48598.04 56402 35000.45 75529.79 78162.49 74484.51 61862.64 52701.81 95846.06 109804.71 114720.21 79362.06 114028.4 120197.85 102260.96 129248.48 111256.12 161250.28 92942.41 61275.48 91403.66 109955.72 74620.95 85989.37 79538.68 84425.24 112269.91 95992.19 102964.69 71173.8 113873.96 119891.29 83716.48 70461.52 112076.53 124962.88 132253.05 113629.59 103418.74 105569.9 75847.62 125562.26 141558.47 237723.25 142521.67 0 0 0 191.47 0 0 0 174.8 0 0 0 577.66 639.97 0 0 0 183.59 0 258.86 0 0 0 0 212.73 0 0 0 0 0 FA_C19:0 755996.81 431345.59 477026.53 710400.94 537866.56 567907.81 468823.62 322601.28 370675.75 270458.78 1077131.62 515815 349581.34 580167.19 414568.47 386826.97 377974.16 461398.88 446103.28 502245.84 464589.59 566431.69 602090.94 517140.25 485595.97 461838.84 1133504.88 873779 629450.75 592364.19 468349 456164.22 375228 639257.5 449864.91 682355.31 876882.31 455356.59 502151.22 311730.84 324719.22 538984.94 392781.5 502700.09 530128.81 252198.92 275092.03 277239.66 440482.59 588082.56 817411.06 576322.5 349482.81 531491.25 154260.2 460382.72 468001.16 376418.59 281037.25 155313.95 533959.44 334147.28 289784.34 529642.75 352395.59 355006.72 390192 485239.47 399158.34 448285.75 581961.25 365583.5 404544.25 383382.62 48957.19 34427.83 89214.38 63322.42 454849.78 251029.62 246461.39 sphingosine (d18:1) 107696.75 36213.82 45222.39 122672.16 31876.78 37312.96 50180.38 44270.14 56634.61 66291.45 183799.12 31692.17 25899.37 54675.54 20585.67 52926.44 42931.17 30510.7 43830.48 56306.88 43522.27 76279.91 78317.45 106969.12 63472.93 36216 52770.26 140885 93834.43 86832.59 31717.05 55986.5 29725.88 66138.52 91321.41 96905.88 141553.03 33208.75 47845.68 26771.76 28979.06 53402.19 78323.26 56671.81 39203.98 30483.42 37982.3 50372.07 67030.59 42761.57 201490.45 49326.75 38099.43 31647.31 23143.48 50414.17 29173.13 26271.27 32032.8 7232.8 42268.68 29357.27 20228.48 25881.46 24525.37 28925.62 50428.96 27089.29 47841.89 38264.09 30317.51 47212.69 31859.97 31563.25 478.71 289.05 1465.51 682.7 0 692.34 250.63 N-acetylaspartylglutamic acid (NAAG) 838782.69 754456 508580.59 921417.25 492229.22 605739.81 781108 484107.47 714176.31 384549 779434.5 1157548.5 660938.81 655326.31 574019 1684018.12 691334.94 669367.31 606687.12 843867 572093.94 803126.31 802920.69 660039.75 745315.94 1031775.31 646567.69 731440.75 646357.06 758143.81 734085 828548.19 389105.88 614259.62 415192.41 452939.59 489933.34 609717.69 601907.75 906766.25 427475.72 482099.28 690462.94 613334.06 712149.75 340414.44 235728.98 297783.91 690708.69 590806.12 565805.12 537942.31 0 0 0 181.24 148.79 0 168.08 148.61 1052.71 191.64 183.8 181.04 0 243.74 779.9 556.57 777.58 398.37 178.7 336.84 528.27 569.09 0 0 0 0 406.63 0 0 C20:4(Arachidonic acid) 14248633 12153852 11156469 18855252 10788674 14168916 14355172 6705730.5 10083381 7366824.5 23478640 19663494 6774880.5 8924513 4454189.5 14129153 10842143 6395887.5 8323078.5 11140404 12837949 7697577.5 25936350 11643485 32011344 9927331 37676088 44373156 45951452 41027340 33192450 22565450 23610450 31305446 33441530 44017092 32317368 37987408 22061470 16376040 16623393 30816334 24009680 20614080 28196862 13609463 20619558 10106076 47210972 31176870 52263100 25450098 5886688 7107245.5 2548766 9475365 8915145 6209018.5 6648841.5 54273.97 10771253 5005206.5 3648203.75 5762298 3939696.75 5402304.5 8672481 12720769 11775703 6102856.5 11015123 8025307.5 10412493 5669536.5 787110.44 871455.31 1891905.62 956542.44 58395.24 32795.63 27102.73 FA_C20:3 2038614.38 1298263.62 1736715.38 3083026.25 1215049.12 2277962.75 1803189.38 724296 918423.25 1014623.31 3673650 2928150 735237.25 1251618.62 675343.62 1748787.38 1138114.38 712488.81 925564.81 1218642.62 1281466.62 778254.19 3146711.25 1492688.5 3162411 1048163.81 7366211.5 5681740 4972050.5 4480446 3220204.75 2738571.5 2511053.75 3185062.75 3403419.75 4263400.5 4068043.25 3117400.25 2543492 1963690.62 2418451.25 4031668 2334885 2197593 3989865.25 1253455.62 2094598.88 1107000.38 4410846.5 4071417.25 5316646 3182388 916603.75 879874.5 369638.75 1137725.12 1203976.62 1012102.19 819697.5 11344.48 1377930.38 684220.69 622760.44 831418.69 379112.16 789749.94 1164333.12 1862098.62 1384610.62 727552.75 1703990.38 958134.69 1580007.38 856308.19 103789.88 109283.74 251177.75 144966.89 10781.44 2694.14 7663.24 Glutathione 38881.82 54995.6 54229.42 57632.16 37352.26 43382.19 200431.61 149268.52 87539.12 22027.72 66971.88 123571.12 145226.7 790554 31724.52 2999363.25 1097891 670348.75 212650.2 1696755.12 2619288 723913.5 1435477 321394.16 3574148.75 691414.56 713341.69 1885509 2350641.75 1597452.38 1799296.5 925196.5 318898.62 1682725 613813.81 1589038.38 1034371.56 1164452.62 649981.69 417846.09 132731.25 652779.44 534202.75 988013.19 702047.81 207609.56 218792.45 34441.32 366778 487817.47 1528781.38 510451.25 574.99 584.33 443.82 371.11 239.56 257.27 254.3 389.33 268.52 0 209.43 300.08 198.46 204.26 191.79 251.5 153.66 0 0 0 0 164.44 193.74 123.93 0 0 3632.99 0 0 FA_C20:2 1845577.38 943540.31 1256057.12 1875119.88 962931.56 1565152.38 1049884.25 489543.34 464208.62 617189.44 2638017.5 1194630 345444.69 690616.69 522605.59 1051120.12 582518.94 353240.78 519600.09 629312.94 507948.78 586948.88 1791353 916919.31 1499152 449786.62 6056232 3684656.75 2645968.25 2935473.75 1686553.62 1657221.62 1191521 2329565.75 1595678.62 1922064.88 2454989.25 1941182.38 1066432 934671.5 1333364.12 2050317.38 1013055.44 996377.44 2221297.75 451127.41 709849.25 698029.25 2039279 2160427.25 2403109.75 1822703.62 800282.94 584753.81 242362.64 746283.69 911565.75 623650.75 370793.53 15842.33 774249.94 371887.72 404165.84 489965.5 239200.61 441266.84 647313.06 947137.5 626288.44 323760.91 1071613.12 400287.88 744754.19 553175.81 64836.34 73414.71 106111.46 92434.44 9767.22 2609.35 1878.3 N-Acetylneuraminic acid 35283.61 44991.16 33598.69 40213.94 31321.55 36319.26 43614.34 34345.08 44900.43 25729.94 34668.44 36765.47 25215.09 39238.47 11277.14 61701.84 38514.34 26234.64 26749.16 40004.72 39103.17 23737.88 40619.96 29784.08 59623.49 26104.69 23908.66 42839.58 28553.06 33817.41 31686.71 26526.57 27003.75 30423.92 28767.92 33542.41 21713.22 28377.79 19949.86 23913.48 15117.11 26045.58 26975.58 22668.73 20605.22 18948.58 16847.42 10833.71 35415.46 22020.48 34999.02 22312.3 883.09 1036.04 409.25 863.32 1271.66 640.73 994.55 0 1067.73 729 288.44 832.76 436.18 1008.27 1360.51 1023.52 680.71 538.14 1626.42 781.91 1035.42 1145.58 0 135.43 171.64 158.1 0 0 0 FA_C20:1 4174114 1781712 3076592.75 5046538.5 1306404.62 3831332.25 2386430.25 941901.06 823553.06 1478063.5 7237914 2586233.25 638815.06 1449428.88 735315.19 1563685.38 900170.56 784120.5 1041255.31 1688867.38 879998.56 1295313.38 3445857.75 1850601 2215785 688663.81 14191791 7409929.5 5322803.5 5512052.5 2492241.75 3060220.25 1679216 4330620 2335670.25 4453796.5 5952358.5 3171299.25 1695826.5 1531163.62 1693139.38 3270237.25 1715183 1890394.62 3152999 889946.94 1047160.94 1086130.88 3236182.25 3918862.75 4993189.5 2837919 1862726 1290264.62 533238.81 1526793.62 1946911.62 1647350 896134.31 52462.73 2086099.38 1008348.69 898791.75 1138853.38 566287.38 1052944.62 1048584.25 2183172.25 1089695.38 938079.19 2649819.25 805572.25 1352270.38 1029919.75 125105.76 155852.19 298110.84 205386.36 49603.1 42333.38 38385.65 Palmitoyl glycine (C16:0) 23366.58 12969.12 12050.61 10658.06 11410.64 7579.01 15850.87 8820.59 9507.21 4714.21 36283.13 8258.3 8800.63 25866.92 11101.61 26431.74 19284.54 17363.69 19241.55 10733.45 20955.1 22849.23 31083.97 33072.67 23082.9 28276.4 3354.53 9980.89 15972.88 12331.46 19360.53 13109.24 10876.95 17082.51 19800 18186.16 18161.51 9819.92 12237.32 12890.23 9662.42 17131.04 9185.58 10401.57 14079.98 8107.97 7243.58 4927.68 12278.27 15122.54 10839.34 16482.23 10634.65 12443.59 7478.6 16024.34 16480.91 22276.03 8490.34 7677.9 8891.66 15408.49 14489.85 21327.97 9402.33 20305.7 7498.38 12835.34 25938.38 14060.68 10338.53 12601.43 12559.92 7819.94 336.38 604.19 6866.45 3069 4447.99 2336.95 871.01 Cytidine monophosphate 50302.43 46864.61 28991.43 55998.2 36085.33 49343.71 76128.68 40119.44 32516.71 22055.83 69513.1 64352.4 38371.13 34970.92 18312.04 84436.37 55787.46 43003.46 49910.44 74040.31 75291.91 54417.79 85888.91 61410.33 100973.84 52394.72 201636.77 101360.48 119719.23 107082.62 200774.45 63153.5 67886 123806.47 104998 185694.23 153977.06 134819.23 70920.83 45646.95 38346.17 92008.82 67185.97 79176.09 70630.77 50251.86 65857.94 23319.88 112937.96 100177.66 140592.16 99346.5 0 0 0 0 0 346.47 0 0 0 492.07 242.54 0 0 0 0 0 0 165.19 0 0 0 0 0 0 0 0 438.19 0 230.7 Uridine 5'-monophosphate 159868.52 180665.62 67437.52 184623.88 109231.29 148680.25 182392.83 115651.74 100110.52 76938.59 220168.08 179358.98 128101.02 107491.02 58144.94 205374.58 169966.62 108502.5 145309.7 212207.45 194323.38 129928.12 262377.78 189781.98 340439.12 148243.42 496254.84 355747.75 327875.06 359904.16 495702.88 251797.17 201640.33 432026.38 348233.16 495504.34 488203.25 458167.62 231779.44 164264.11 145086.27 296546 250802.55 280563.28 279909.09 166295.83 182744.38 85287.98 341183.16 320861.25 463325 320114.47 0 0 219.48 0 0 151.01 0 0 0 413.04 0 0 0 0 0 0 0 0 0 0 0 182.14 0 0 0 0 226.72 0 0 FA_C21:1 87131.36 59389.14 68953.62 116982.49 33788.09 92824.68 74747.19 39875.93 36723.27 24552.41 172654.39 87024.12 33549.58 54935.95 31791.5 39024.68 27766.62 47954.93 51469.94 49228.45 44930.3 49629.67 86787.75 49136.98 35912.31 41350.17 264567.91 146391.89 94750.44 105120.28 54500.51 69322.84 30978.77 74525.24 57323.48 82367.27 77547.96 68864.12 51676.83 35670.75 37360.72 72696.62 44295.43 59985.03 68637.54 29458.44 40863.43 29323.34 40329.97 74222.93 92470.85 68541.22 14788.88 21445.28 7901.57 15115.15 24718.79 42761.46 15425.14 15114.99 30468.98 17817.04 14314.32 31833.13 7567.46 21052.51 11090.79 24290.13 23442.73 26919.48 34004.9 14041.94 27887.1 14674.31 2036.38 1403.27 1755.34 4268.9 38301.94 23076.51 19386.53 N-Glycolylneuraminic acid 47125.43 57665.39 44621.36 46477.26 39487.36 50096.29 46284.14 36393.7 38061.21 21900.52 39521 58898.89 37159.71 47571.96 17694 71030.93 55014.07 36866.99 35077.76 45566.5 50967.69 39261.72 55861.61 32963.16 108954.52 34010.7 52451.2 68532.79 47366.11 45538.5 53472.08 48559.01 35344.42 42456.9 37361.62 59705.8 43232.75 55047.06 35484.66 36156.14 37221.76 39094.65 47436.89 43547.11 32758.32 31996.9 31733.19 25910.85 39450.86 27407.48 59357.05 34301.08 259.78 418.67 0 499.13 571.82 767.77 548.26 0 601.17 1348.79 0 462.29 369.39 412.54 1187.09 1246.56 1101.58 711.37 1502.4 837.35 1388.62 1011.89 0 0 0 0 0 0 0 Oleoyl ethanolamide 166478.83 90538.23 72623.62 167832.56 79175.63 77614.93 91721.66 89224.48 101263.72 110095.73 239397.88 61530.17 42180.78 110600.54 36303.64 112594.59 83243.65 67871.29 60495.11 89031.1 90322.54 91068.94 145657 165132.98 143928.89 79820.26 80619.74 164475.08 121976.12 123981.66 60901.36 90130.56 62541.23 107716.81 135058.55 150549.12 180964.89 61537.61 58444.8 66260.27 51734.46 88005.12 95440.78 77349 51784.8 48240.39 56399.92 64210.78 128223.73 74019.77 223794.11 81728.18 348.81 9868.84 3605.72 3960.02 0 2234.2 0 0 0 3594.94 1953.05 3189.78 2961.72 9534.93 13559.47 4894.95 1709.88 3974.94 4367.5 4437.98 4024.43 0 560.96 0 805.65 331.32 3326.27 1039.28 2038.44 FA_C21:0 210652 190235.88 199639.64 264529.5 185143.86 193546.02 219804.48 122608.91 175130.19 96535.41 375138.66 258441.33 188666.31 223129.69 180486.27 156371.19 188445.38 214964.89 213285.05 229778.56 213402.98 224162.44 261206.44 213624.33 170793.55 194899.58 356603.75 252868.27 238078.95 189106.98 190110.39 188719.17 161190.59 208714.05 209477.8 228034.27 280491.25 188286.77 229493.83 111584.74 123412.93 186914.95 165256.12 230104.95 198637.86 118065.65 113055.69 103255.34 163226.92 238965.64 288381.22 201932.44 89369.09 222477.3 42483.14 119772.03 135121.23 116659.01 59280.02 64627.44 172204.44 95935.09 71521.42 193708.12 98321.49 126992.73 172794.98 168517.25 166300.64 138379.59 161223.73 116496.27 108321.38 134352.61 15588.91 9668.18 11808.8 13946.5 252665.56 145028.91 132466.77 sphingosine (d20:1) 64687.36 42340.09 32761.46 87608.45 37352.84 34258.63 43165.54 38397.54 40168.53 54219.42 98434.07 33014.88 30109.56 41904.65 16708.83 44165.73 37312.83 27554.08 40186.47 52865.32 37911.69 51187.61 60746.77 73028.34 57647.83 31129.24 41587.92 94855.54 64073.31 70063.91 34056.54 45421.31 37218.72 51015.55 64362.64 66890.52 84439.05 37249.29 46116.44 31261.34 32900.5 49206.52 63105.33 47039.62 35800.65 37097.78 37705.36 45976.91 63010.86 34948.75 122928.21 43708.19 3681.53 12950.46 2510.54 14987.31 4776.98 11281.34 10187.62 1341.83 5793.36 7570.84 12537.94 4493.7 10803.51 5191.25 1796.85 6980.84 6729.03 3707.91 3734.04 11479.07 4648.3 7531.04 1452.77 2486.68 8013.94 3805.44 0 0 0 C22:6(Docosahexaenoic acid) 10517791 3787701.25 5157651.5 5336342 6336784.5 5957600.5 4992026.5 3121570 3892064.75 2652490.75 10423925 4090094 2353866.75 4105896 3460981.25 5329515.5 3939440.25 2436614.75 3295389.75 2678474.75 3579752.75 2585963.25 9343391 4894777.5 6723678.5 3264434 16418135 14230256 14026724 11872948 15544779 10165269 8923696 11471172 12772765 14861247 12095931 9661645 7998359.5 7075037.5 8907820 12733445 9320843 8040812 12739813 3372522.25 6125828 3803098.75 16053548 12128823 17868916 13256049 3790186 2441850.75 1077990.12 4593684 5326812.5 3143292 2471617.25 32778.15 5021771.5 1893537.38 2079792.88 2093724.88 859951.19 2332579.75 3099616.25 6332056 5580368 1908042 4389099 2051585.62 4074247.25 2271025 361094.12 314924.38 776202.19 345004.81 47992.46 10898.11 10116.02 Adenosine 2',3'-cyclic phosphate 56068.08 60441.77 35518.08 62288.38 30978.31 58948.42 65787.71 33990.86 24892.05 13009.71 74957.12 49344.67 35531.02 32228.48 17518.55 86350.18 29389.15 37641.47 47549.31 56553.48 51576.72 60507.77 64586.5 49433.78 91470.81 69244.63 77773.76 120657.28 91314.9 91237.55 55241.67 37289.81 38611.67 66588.13 37623.52 62038.09 76872.98 107383.35 59952 28233.79 21632.33 43920.86 25252.14 50803.05 38018.98 23861.81 34988.02 18184.92 71773.12 45863.48 83853.24 41029.77 0 0 0 0 0 0 0 0 253.12 0 0 0 0 0 0 185.55 0 0 0 0 155.02 0 0 0 0 0 0 0 0 FA_C22:5 2712709.75 1318713.88 1658104.38 1670136.62 2034660 1727009.12 1472916.88 980485.31 1169711.5 764694 2723833.25 1176516.12 753687.75 1384022.62 950472.06 1995319.12 1351044.38 867537 931590.06 908147 1260760.88 854467.31 3220714 1514563.62 2875395.75 1142486.25 4029712.75 4609606 4032474 3921329.25 4633020.5 3192489.75 2099691.5 3239518.75 3520226.75 3828165.25 2806071.75 2858520.75 2271296.75 1852553.62 2103797.25 4026444 2856466.75 2966293.25 3425209 1077246.62 1971199 1006461.19 4722647.5 3353686.25 6010129.5 3313305.25 612656.56 515972.34 270311.97 960444.44 965243.44 656270.5 331029.22 11456.84 896610.69 339773.22 353802.59 474755.53 168226.48 451198 630994.69 1207565.62 933544.69 433316.91 789802.69 381540.03 709529.44 479765.91 65611.33 45413.53 95140.88 57208.8 8495.9 460.38 918.69 FA_C22:4 2291274.25 1246356.12 1418354 1818537.62 1647564.38 1363097.38 1315709.5 761659 1142612.5 770147.81 2470864.75 1890079.12 723835.19 1001068.31 659949.88 1721016.62 1201956.88 692638.69 772948.56 877076 1214949.62 727001.19 2827029.75 1289378.62 3469797 915542.5 3863485.75 4713197 3644886 4180250.75 3927982 2122429.75 1951704.62 2915444.25 3353608 3750323.25 3027967.25 3387672 1725801.62 1351240.38 1498784.12 3139311.75 2407074 2111714.75 2386034.75 1115059.12 1858181 825526 4434122.5 3091065.25 4916119 2442834.5 450579.22 315313.91 153434.8 584863 612753.94 382250.66 230231.75 35988 731210.19 244039.2 262420.84 284399.75 113364.88 232414.05 367668.5 679391.5 509883.97 202617.39 491778.34 283582.59 389444.59 270481 60105.52 31222.82 77401.38 39167.47 84444.66 180920.55 150640.83 Nicotinamide ribotide 0 0 0 477.32 0 0 0 0 0 0 414.23 549.93 0 0 0 383.98 291.03 0 0 0 898.66 0 0 0 0 0 0 0 0 423.14 0 0 0 0 0 0 0 0 0 0 321.76 448.76 677.49 0 0 421.24 1252.64 318.18 0 321.4 452.29 0 0 334.7 336.45 1937.56 763.27 1397.94 3620.28 0 1185.46 1573.88 1795.17 1072.12 1404.31 637.38 1495.36 2281.01 1790.03 1511.62 477.35 1463.51 1815.25 2572.67 0 646.96 397.13 737.37 0 0 0 FA_C22:3 101187.12 56980.87 94036.65 141693.17 46999.75 114005.19 87922.9 39908.2 59746.3 52740.26 185550.98 194563.23 28809.8 93937.88 26106.56 98566.94 72153.98 43003.13 57230.56 80574.24 78691.18 48929.69 171577.77 82032.96 188093.12 55861.19 314072.41 234941.75 196119.98 218604.73 136950.3 80987.29 62484 129755.37 127046.91 175389.02 186148.08 134286.84 76779.43 58926.14 64874.52 144982.7 113827.3 75525.02 118513.02 54814.1 104212.99 36186.27 194685.95 161447.75 259330 141488.95 16941.94 27037.31 6906.3 43727.99 23718.67 22246.02 22419.85 3613.92 42852.03 13428 25840.98 45812.78 14132.07 31673.47 24092.73 84163.41 53841.86 22409.21 22625.27 36948.77 85856.51 29171.74 5404.07 1871.51 5278.93 1111.85 3559.78 328.83 935.51 FA_C22:2 86031.32 38629.57 29249.9 54708.01 44427.44 49268.14 42145.56 26939.42 22525.7 32719.76 124556.02 82458.4 26717.86 38759.39 17695.61 45612.71 22332.99 13724.73 31466.84 26506.13 26991.44 31054.25 70134.91 50836.94 63447.73 34316.64 163051.14 127779.88 88575.63 79721.02 63687.39 53202.17 38374.95 77711.4 53124.61 81737.53 71850.71 78188.09 47621.71 30925.61 36798.14 75211.65 24073.22 50121.88 52937.06 17624.99 29756.68 22624.55 77618.27 56692.64 106038.12 66365.21 15721.2 14746.75 9329.09 12150.05 15969.44 7923.35 4516.85 2580.29 18150.66 7960.71 11198.9 21661.85 7312.19 15621.71 18632.65 34849.51 11455.6 10363.78 33697.61 10660.57 21153.87 15503.89 1783.09 2809.51 2348.57 4470.56 2131.06 2128.94 1936.08 AICAR 3029.57 6838.32 7178.64 6544.17 3642.05 9253.11 9428.69 2360.74 3580.32 1689.22 7114.58 7288.96 4451.25 3308.27 3637.53 7129.35 3798.37 7464.4 7568.55 6925.34 7830.51 9185.82 7851.36 4264.19 7257.82 8960.43 2947.24 11171.91 10196.34 9790.94 2396.62 6091.09 5103.09 3904.33 4111.64 2925.42 3877.3 3498.18 3122.14 2366.2 2129.58 3721.54 3648.36 10823.32 3776.12 2632.8 4354.38 2580.97 1918.38 4221.52 4740.07 4704.44 1282.51 4700.6 2052.85 3026.7 1178.84 3561.65 3679.41 0 3750.24 2739.3 822.62 3555.16 1828.76 2434.41 4221.07 3866.9 4594.67 6469.69 6031.47 3914.83 4815.78 4225.94 0 0 0 0 0 0 0 C22:1(Erucic acid) 317788.22 224796.42 294391.41 418881.59 139190.23 241015.48 209572.14 100030.1 133978.89 126168.88 622633.19 301848.53 80909.85 270316.12 117251.04 113342.4 115525.38 117310.9 157962.48 198435.31 151169.11 206790.14 361218.53 225803.55 179559.38 122308.77 771877.81 476762.62 348222.75 344904.16 184993.75 213705.31 109627.79 285561.09 216050.52 290023.16 435120.5 197808.8 162097.05 110187.16 114223.84 240438.14 172346.81 207512.58 201778.36 81643.86 124258.26 103471.13 210345.38 247676.5 417095.66 227001.58 52318.54 138368.83 32113.95 97175.35 114598.91 139960.8 56775.45 30268.46 147062.36 64825.08 44821.34 106533.88 51904.11 85971.06 62476.62 156819.39 75870.82 80875.38 187523.5 58342.72 66565.6 69549.91 6192.72 10170.54 13024.11 12596.93 39814.05 86646.23 62788.22 Fructose 1,6-bisphosphate 703223.94 5322691.5 883808.69 1210875.38 1558055.38 2455483.25 2354701.5 1222204.88 1107139.62 282482.66 899895.5 1076027.62 1830927.38 1382342.12 818889.75 3598721.25 2955548.75 1528786.62 1287971.25 2906231.25 1278683 2710677.25 1759590.5 1592323.12 1516723.38 1441082 220772.83 1293283.62 2101653.75 747977.44 351335.91 1765855.5 2477665.75 1343018.88 1688561.38 423238.28 409115 345835.88 1615521.38 900921.19 814910.81 1687109.5 894022.44 2455541.25 1258318.88 1248031.88 1194067.12 717640.81 969408.19 1462628.12 764472.5 832763.81 3434.63 2044.97 2107.78 1394.31 694.24 611.14 473.55 914.44 655.49 345.02 636.39 0 193.09 429.37 554.14 158.91 435.46 543.67 654.63 472.17 495.21 444.26 0 0 0 0 13583.11 0 175.8 Lactose 67854.43 79974.44 69588.07 92366.01 50584.2 99917.87 106289.98 57798.87 62766.28 31824.12 115406.19 90378.12 66429.77 75993.97 30165.12 127437.74 77943.88 88815.35 70990.01 102053.53 87518.35 92505.52 84750.04 52963.23 119502.01 75303.12 235892.38 148029 140021.98 106071.81 121856.45 98811.04 75834.72 150842.62 99960.15 100945.66 131092.95 111382.48 122063.28 551634.81 65528.91 95581.27 86852.03 150273.09 116656.46 55548.08 50177.27 50213.26 94443.59 125809.01 132768.55 122728.48 3279.78 6627.25 1644.94 2510.82 1187.68 1569.74 1743.01 1125.79 123509.41 1906.39 1241.16 2023.84 1849.69 2265.75 2397.55 3303.47 3450.21 2834.35 2528.28 2590.86 2291.59 1795.75 1302.75 622.66 1157.01 1043.51 600.97 1186.45 837.76 Sucrose 33750.8 38768.51 42506.31 30242.93 24813.15 16847.43 19588.46 25785.98 35913.8 34167.71 54591.05 17204.64 17026.78 14947.59 28797.46 25583.89 15677.75 35465.32 18561.98 28801.12 29269.01 46952.67 37850.58 21784.1 18541.33 11467.05 24259.34 36944.08 28754.38 28349.63 16766.59 21665.1 10992.34 12286.8 8877.57 16649.31 13645.91 17106.74 34000.55 20471.94 9788.87 13492.37 9999.52 26794.61 14628.84 10264.6 12478.96 9104.64 9691.75 7226.43 13714 65393.21 18484.76 11709.6 7022.99 12079.22 5223.26 3924.86 2725.67 1388.23 4391.88 4009.64 3810.17 7575.74 9312.57 26314.05 11125.3 19515.82 5264.93 95904.09 11405.64 20378.22 5833.23 16137.29 903.03 988.61 857.04 1137.22 291.42 653.82 801.78 Dodecanoylcarnitine 41585.23 13124.8 7347.59 22595.74 38566.86 3525.82 0 49319.72 8267.62 32902.61 35256.37 28316.71 0 8815.35 0 15547.8 22317.05 0 14065.34 0 5446.91 0 19448.4 36937.71 14436.29 4599.9 54573.72 0 0 0 45395.71 2038.86 0 3218.08 0 84879.2 5860.29 28997.3 0 2484.12 0 0 0 0 12819.55 176.25 1637.74 460.24 2616.65 17649.91 24674.17 1904.42 0 0 177.55 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 333.16 0 0 168.54 0 0 0 0 Thiamine monophosphate 31425.27 19321.5 31190.25 37383.54 22101.96 29000.78 48449.47 41065.2 31876.96 5667.45 31192.87 16379.32 38456.27 40291.57 16015.62 86596.2 51813.22 38941.87 30213.96 42449.53 46347.64 28800.38 40344.47 39389.9 39288.25 30057.62 36702.6 38918.18 44591.22 38583.89 43727.7 55041.92 44292.34 51608.73 32165.41 21766.98 27420.87 31469.37 34452.5 34417.8 43797 59959.3 55354.91 65583.05 50664.84 28181.66 26650.15 22403 28764.17 59668.25 45352.97 68262.32 0 0 0 517.82 0 0 0 0 340.87 224.62 0 0 0 395.65 858.46 663.98 0 0 510.36 186.07 0 469.73 0 0 0 0 175.61 0 0 Adenosine monophosphate 5930160.5 6186237.5 1354957.88 5219080.5 3826336 3213372.25 3480793.75 3570408.75 1609447.62 2614952.25 7011818 5686525.5 1994514.88 1331599.38 1074979.5 3864343.25 3314670 2150689.75 2918714.75 3155258.75 3095046.25 2908170.25 4091508.25 4681516.5 5813498.5 3255604.75 11884293 5623916.5 4347460 5664072.5 16902958 2626502.75 2431423.75 6662542 3933138.25 15385092 11429887 9463910 3362926.25 2224639.25 1702784.38 3350795 2256194 3159920 3227215 1700204.5 2222810.75 959201.81 4284854 4784162.5 6746606.5 4394502 1406.07 1227.62 3567.05 950.54 1206.47 974.85 499.34 500.45 928.57 1533.89 521.55 751.47 475.11 292.63 186.41 546.73 703.25 550.96 437.67 272.8 647.76 305.16 317.69 151.53 233.16 172.04 10303.38 181.11 0 Inosinic acid 11428871 8417606 1279312.38 7484130.5 4451057 4063016 7137893.5 2743009.75 1469771.12 4810888.5 8545199 12142381 2365365 1382560.5 657164 4830875 5460825.5 2075239.62 2995322 4908722 4911283.5 5830982 6497905.5 6109504.5 22005704 11960293 41194660 12814032 13074924 13940757 22615096 1986692 2550956.25 13991860 5280967.5 16105603 28734576 24871242 2505306.75 1682743.62 1341274.5 2993119.75 1166687.88 3027243.75 2815972.75 1402137.62 2903287.75 1061162.25 8368215.5 4220646.5 5842217.5 3860224.25 6817.39 4954.34 4117.44 4280.21 3448.15 2449.89 2195.62 960.58 1854.99 1808.28 1631.46 1235.52 751.55 982 11431.91 598.17 1204.75 655.32 935.85 433.19 575.3 768.89 657.18 491.56 754.69 771.04 18007.9 181.89 0 FA_C23:1 17187.44 28788.42 22445.49 51241.02 15695.86 33062.23 15531.32 12891.62 9689.62 13523.42 37105.72 80910.16 12770.31 26976.23 10779.11 15779.35 11371.83 21892.59 20009.78 19681.86 12248.46 21821.77 32481.62 16261.58 17952.09 15694.29 61609 49079 21646.64 25939.07 19010.78 18893.42 11646.53 26096.97 20600.76 33309.66 42923.83 20292.29 16208.42 14075.47 14034.34 26186.93 12608.15 22333.54 28061.45 12726.96 13520.82 8485.37 21577.43 17025.21 29003.15 24507.97 5238.82 14057.19 2584.51 7314.01 10445.47 7303.43 5572.12 2135.4 13151.48 11979.8 4931.54 10393.8 3265.71 10126.93 7568.39 10259.39 9891.29 10761.82 28552.16 8510.21 6834.86 8098.51 1018.67 657.24 497.52 977.74 12084.72 8552.82 7416.87 FA_C24:6 52503.18 30191.62 54429.75 63972.38 40833.62 78994.55 69898.06 23780.58 28611.79 17486.55 92339.62 33414.73 19623.55 32076.19 23413.2 53436.09 39849.57 16115.52 25737.01 33846.51 37385.37 13686.2 105018.44 41316.16 129210.44 30442.88 196138.55 161509.31 141390.61 117181.53 111860.97 84731.41 60143.57 96942.91 119441.79 89208.1 113510.52 74682 40259.59 47425.53 52885.52 119003.02 69746.05 58188.3 115428.43 38696.21 58579.25 19064.96 183373.3 104027.91 195608.2 101932.15 17108.32 67106.77 19050.95 37721.46 55039.92 78797.37 43705.98 0 118229.93 12244.42 9834.4 37532.39 5824.47 36668.99 63954.41 163635.47 117875.77 33706.47 95038.51 55329.61 132902.06 58501.39 7586.42 1782.04 14499.35 4804.13 522.79 0 0 FA_C24:5 50974.75 44740.03 45450.59 64553.23 38744.15 60249.08 46076.09 27489.01 38814.59 21094.96 88323.26 42576.59 17191.36 20648.42 14751.38 61819.11 43719.5 16589.81 19601.5 31107.88 39967.64 13038.75 109758.01 32541.69 165729.38 19930.28 174855.31 163685.61 133337.25 147597.45 121644.44 60625.81 44771.5 90880.54 132211.73 121543.75 151093.84 95931.09 50482.12 40594.64 34710.34 117020.59 88833.53 62469.38 78581.48 32961.33 58271.94 21623.33 152157.25 114017.06 188091.11 93693.65 12186.19 18191.03 11293.96 52758.75 24289.15 61369.21 19084.65 0 69605.22 10196.65 7370.99 22387.07 8092.78 14755.99 32159.42 99971.38 67540.9 14182.06 63287.25 43148.68 73849.38 35307.04 5154.7 1574.1 7209.74 2034.92 0 3395.16 0 FA_C24:4 67058.12 46971.17 41913.1 60926.75 40291.61 30221.63 39331.99 29888.19 38714.14 24758.07 69411.25 55774.27 29842.6 29023.33 11815.28 58157.53 44611.77 14088.5 30457.19 32785.72 34052.11 27103.79 87932.24 41679.1 133982.31 28971.34 146786.17 198879.98 100908 106246.62 114289.44 50772.09 42330.8 79709.24 95666.44 102286.94 104280.02 100767.34 40518.93 23563.94 33999.95 73897.33 67312.16 49452.24 67675.35 23822.12 43219.43 17673.79 114905.12 87512.16 151972.42 77362.45 11953.02 21106.46 5122.42 16961.24 24460.95 31713.78 8182.4 576.43 32483.55 5850.57 9280.03 11686.33 6538.43 6500.31 22525.44 37084.24 34941.62 9596.56 30566.69 16874.88 31027.74 12931.7 3516.97 1147.1 2146.51 585.7 0 0 0 Cortisol 15172.54 12961.8 10226.26 19890.45 6879.75 24151.77 7704.56 13760.61 4302.93 4428.38 18791.34 4836.17 5500.09 7390.64 6212.36 12558.25 9759.37 16077.12 10230.51 12243.28 9020.39 8584.61 12732.39 7161.96 16197.1 8133.5 34207.91 96418.12 11041.33 22016.62 10098.67 24823.55 5346.39 23108.06 3107.24 13856.71 14475.04 14428.18 10976.72 9007.9 6250.19 9523.19 11741.73 27929.96 15577.16 10315.54 1832.95 6613.96 14596.96 8773.46 11960.65 6857.41 63706.24 79598.94 32516.07 62936.38 32787.12 42575.68 45507.55 1034.03 61296.18 42708.49 50649.72 66166.73 37610.95 89396.54 118458.31 105460.88 76635.24 151126.7 151653.22 212538.05 66084.71 244856.94 14507.58 9882.02 6668.05 11045.08 3159.17 1387.03 656.39 FA_C24:3 8531.85 8645.96 7838.16 17154.03 6288.58 12059.36 7213.61 4407.4 5514.5 4033.74 21931.55 39799.53 6162.89 7693.68 4276.35 7069.15 9679.49 3281.11 5517.54 7840.69 10143.47 5746.52 18475.77 12217.7 38286.76 7395.59 19127.76 25121.42 12941.66 22420.18 23103.06 4313.57 7559.87 12059.42 23053.34 19935.39 16332.22 16716.9 10123.54 9864.26 4375.51 14876.42 15671.01 8257.01 13302.04 3364.21 15831.95 2806.53 26615.31 19105.99 45640.11 21045.29 2577.84 2822.35 739.69 2005.47 1749.57 2917.87 1829.22 0 3697.58 2203.29 1328.18 2792.38 1344.49 2004.38 5111.45 4455.33 3104.26 683.9 7371.95 2342.82 9474.65 5449.26 0 0 439.57 209.89 0 0 0 Guanosine monophosphate 169513.47 178482.17 84530.62 141182.31 86016.24 135149.98 155201.48 110341.79 92818.29 112124.44 205081.8 168358.83 102942.4 101732.93 50468.93 153822.7 135670.36 87001.57 125570.28 161955.2 132841.45 118355.75 227440.67 158023.38 283389.78 143160.33 576051.94 279572.75 304794.03 256872.19 404311.91 185572.67 158421.23 401171.41 288385.03 444042.62 432630.75 412051.75 205699.7 144685.02 113102.47 219206.94 192772.08 226118.2 227780.12 123111.4 169460.33 73150.1 276783.28 298590.22 362568.28 279417.5 547.66 196.86 979.4 190.62 0 0 210.57 226.42 0 611.95 0 0 0 0 0 0 144.81 178.07 0 0 0 183.39 0 0 269.87 0 967.26 0 0 N-palmitoyl taurine 321738 269049.66 216921.3 266381.19 239379.86 251573.8 273486.53 276005.66 220091.33 106050.71 275589.97 158390.89 150120.41 272198.88 123498.75 400592.72 259724 263900.84 159814.86 222077.67 282120.44 204625.86 306708.97 256726.14 402674.5 193184.55 998186.56 551755.44 632068.5 602636.06 809114.44 594756.81 439993 791456.69 453067.16 707592.44 587812.81 417552.12 392266.41 374505.91 445398.28 443143.53 465957.41 614294.69 416258.12 252583.83 309030.84 173619.62 550764.81 609775.62 682016.31 427452.28 4283.81 3480.75 2260.37 5642.83 5526.7 3695.88 2770.15 587.61 7178.3 3217.88 2570.07 3848.11 2126.25 3583.25 6358.84 9104.92 8393.97 3733.36 4855.82 5419.71 5130.96 4202.06 597.19 524 640.45 199.11 416.49 0 358.46 Xanthylic acid 3972.99 5398.54 5686.7 3391.24 4393.86 5460.64 4825.19 3387.97 3887.03 1787.68 4067.36 6262 7190.51 4675.65 5010.88 8210.34 5591.47 5974.74 4975.91 5520.62 6165.02 6295.9 5432.88 5351.78 9306.13 5542.65 4321.53 6623.56 6428.23 5269.14 5909.99 4826.25 3673.26 5028.07 3196.46 5284.78 5848.6 8919.38 7630.75 3603.7 5008.06 4055.22 3668.87 6427.51 5500.89 2719.19 2576.96 3438.19 4364.38 5830.51 5592.16 4930.85 0 0 0 0 0 0 0 0 0 0 0 0 181.84 0 167.14 174.37 0 0 375.42 0 0 441.9 0 0 0 0 0 0 0 Tetrahydrocortisone 27083.38 20592.02 27077.74 14775.79 14827.71 23891.35 20917.85 20539.34 27192.6 14453.52 34487.88 23961.85 13861.92 65330.34 26635.12 27758.22 22292.99 18537.01 28021.21 22448.95 31071.46 23967.49 24140.72 20168.23 37850.65 46923.97 14326.74 14225.39 14709.66 7777.98 44201.57 13756.53 18751.59 20376.63 14989.76 9509.27 11932.27 11722.26 57402.23 11967.22 10976.64 26769.9 13370.77 18984.85 16291.48 9526.78 23489.3 6885.23 9016.76 30485.53 8012.08 18401.43 5597.77 10071.39 3112.84 15217.5 8233.94 10797.57 6220.77 6826.59 13557.94 7992.89 5199.78 25608.53 5443.15 11102.76 12284.89 19681.96 11766.14 10781.79 24907.56 19346.12 12777.12 12519.07 1521.13 1000.8 835.25 1926.47 274.06 1321.48 0 FA_C24:2 58246.85 27225.92 32474.11 54287.23 41755.09 28570.96 21849.29 21297.27 29456.49 16478.56 83871.44 70894.54 16108.5 25674.04 17557.6 29718.88 23778.78 11827.52 17435.06 20794.98 25116.22 20135.44 72228.29 37972.39 60861.45 16699.81 87589.53 86383.91 42256.51 70775.81 65303.75 28953.94 23613.12 61248.43 50607.66 55528.05 63144.25 37005.62 24282.54 24898.26 22557.75 49570.8 39728.53 30500.5 44086.8 12717.9 18006.81 16538.87 61628.53 51210.14 83733.63 49985.47 6520.26 9271.7 2361.26 11337.94 27545.3 5287.66 4264.15 1109.18 10130.84 4592.74 3435.69 5645.74 4637.44 7947.22 15362.14 12228.67 8527.91 4494.28 13903.24 4692.18 8771.3 9964.8 242.8 793.17 377.18 2163.83 812.14 1039.5 649.9 FA_C24:1 212112.92 101011.18 109180.84 178804.42 118977.07 126912.04 103690.84 83328.65 110175.62 89441.38 311003.38 211378.02 67017.41 128624.09 85747.63 100769.31 103943.98 69939.31 115726.4 101551.02 101567.82 104402.7 237014.8 162313.83 166895.27 98987.06 267583.03 257106.08 179563.58 191941.38 219274.58 132509.38 97286.73 173671.44 158173 202861.42 258721.11 130097.12 86684.09 92300.56 88254.7 145634.23 126006.19 104213.3 145453.02 47967.8 86084.63 59260.48 168787.56 190245.11 287321.28 205382.44 45215.86 70037.87 12565.68 49451.04 60538.91 78239.65 31418.47 9463.83 78830.88 43615.07 29752.89 64612.47 30397.74 56158.17 45729.23 69029.93 49610.58 51294.89 76093.74 34354.09 43879.93 40722.36 4890.39 3864.87 7282.89 4680.78 19995.09 13486.98 12301.87 Tetradecenoyl carnitine C14:1 41590.91 8634.48 5223.94 22334.18 36483.38 10372.69 0 42944.14 11023.66 9922.97 37426.43 20268.18 0 9025.64 2353.37 20603.78 14598.01 3222.22 14300.61 0 8824.77 2973.09 14129.18 35732.84 15130.76 7787.72 55217.42 1338.45 0 2159.14 47191.38 1441.14 502.49 8011.73 1410.32 69825.26 7074.3 18890.65 0 676.88 237.69 0 1376.78 1826.41 8638.06 0 433.23 0 4448.88 16980.53 24109.16 2093.58 0 0 0 0 0 0 0 0 414.67 0 0 0 0 0 847.62 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Arachidoyl glycine (C20:4) 8554.53 3583.88 14790.84 9663.87 20545.85 5838.14 8912.58 5701.69 5599.55 6650.19 9752.09 5318.58 8939.48 7938.21 4408.4 7042.85 5468.55 9706.55 7958.16 9679.87 3500.98 9585.81 20941.32 13961.19 12805.34 11122.79 0 7909.43 21407.4 8202.64 4547.88 8205.15 4462.21 6894.21 10487.25 6850.57 9136.47 6716.8 5055.44 4324.1 2962.08 7291.05 7117.8 24932.51 9958.36 5628.3 13376.36 8471.34 5224.27 14212.52 5645.89 11627.46 136030.14 334310.34 112833.29 246116.19 208226.38 151380.72 180197.44 7432.26 282907.78 142771.81 122127.07 299670.59 174770.61 664735.69 816788.31 406698.59 197179.12 192432.23 223845.67 271831.28 214335.69 232409.62 11894.36 10029.29 26148.22 16123.42 5548.81 4159.2 5310.23 Myristoyl carnitine C14 60117.54 20233.53 9149.23 24013.29 57471.52 16748.99 6135.97 64004.36 18994.79 22067.5 37288.38 37318.69 0 13596.22 1301.63 27010.62 27831.18 5657.21 22634.17 0 17963.62 5994.12 29278.05 49612.96 15898.12 14028.24 85047.5 4242.07 1971.54 5982.64 88426.7 6103.59 726.91 12140.56 5303.33 97821.3 13175.7 31752.54 0 1895.03 1241.94 3215.7 4291.32 1841.19 19456.16 269.41 1880.65 854.03 6727.38 27674.18 33190.52 6099.63 0 0 0 0 363.41 0 0 0 685.09 0 0 0 0 0 1374.08 574.28 326.35 0 0 0 0 286.08 0 0 0 0 0 0 0 sphingosine (d18:1-P) 25067.71 24578.39 19124.9 41598.52 28086.57 38028.54 48331.64 27589.16 27779.35 8597.88 37909.55 41095.91 47787.23 53441.87 36683.81 60987.11 35958.53 48116.01 37754.85 52293.38 49622.67 58541.87 40982.48 45040.66 54627.75 68048.84 53289.23 104208.79 76393.68 78349.08 92280.75 68038.2 54267.23 78640.64 82231.38 61983.47 62823.91 93313.31 100637.38 54410.44 42427.57 80287.99 57678.75 93411.72 103900.29 44752.86 43156.38 18678.86 97000.09 83367.57 97536.5 86499.94 13773.72 19304.75 4950.45 18638.72 15406.24 16074.24 16046.85 0 34315.05 10173.37 7358.03 14613.08 10536.92 17117.11 32769.49 41246.94 28807.16 21906.3 32417.1 31212.69 40068.91 38595.36 1650.93 1220.54 1757.9 793.39 0 0 0 S-Adenosylhomocysteine 9058.42 16297.75 7529.91 12417.91 7127.14 12026.52 13399.92 8495.55 7501.27 4670.5 13444.85 14854.83 11431.23 10131.82 5255.55 28881.44 12732.74 12186.41 12184.29 19677.76 17666.1 18423.37 13803 15418.18 27588.53 13746.16 17987.12 20581.92 12539.82 16217.67 14664.01 7526.98 6282.1 11349.8 5111.75 14081.72 13203.86 20574.84 8871.76 6204.8 3177.89 7889.88 4001.79 9146.89 6630.9 3642.71 4809.53 4382.96 9975.51 11400.3 12469.85 8685.13 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 FA_C26:6 31664.07 20738.48 15036.52 20860.12 29642.3 17631.97 21710.64 20015.21 17201.11 12284.6 22527.82 12090.08 16864.24 38853.31 14614.76 54573.82 24829.47 24977.16 16503.8 12399.91 13654.03 11744.62 34606.07 38002.31 20288.78 26480.62 29962.55 20377.47 22560.08 25655.62 16411.25 20079.74 21103.02 25251.58 16321.41 14724.92 23735.65 9077.56 16581.04 22092.7 27373.68 17834.3 15039.12 16958.19 15073.26 8867.4 7734.08 9010.72 29542.03 20861.11 22451.7 26161.64 6046.51 15117.05 2789 15286.03 2997.1 9289.59 3787.67 0 15525.06 8678.42 5906.23 23990.83 5252.69 11694.56 13207.15 9390.15 5139.3 9497.25 4553.71 14636.32 11702.78 8637.6 726.34 468.56 1709.47 928.42 0 0 0 Docosahexaenoyl glycine (C22:6) 7585.59 0 3270.17 2718.02 7757.24 1149.52 5452.4 3511.24 5028.82 643.28 8210.59 2181.81 2112.59 3959.75 1711.74 7647.24 4583.92 3736.85 2958.08 6801.79 5445.85 1578.55 11585.36 5005.72 10498.87 2448.38 6439.68 2775.98 3487.94 7399.64 14484.76 3608.67 3188.67 4337.05 2477.37 9799.58 5553.16 3281.51 786 2758.32 1571.45 8723.7 3452.7 4351.2 4484.74 2187.42 769.82 0 7727.61 6595.9 7136.38 3282.16 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 0 715.69 0 0 FA_C26:5 161011.5 91046.6 63325.36 152137.73 69355.3 71943.13 94931.23 68866.29 97588.96 67331.27 215670.62 49681.01 37386.68 90307.23 30211.08 107425.34 70981.98 60579.42 52724.45 79141.7 69192.01 94598.23 136731.89 147834.83 116123.69 68849.13 71708.2 153824.94 117767.88 105597.16 50851.62 77169.09 51416.46 95635.02 108149.65 112151.01 151596.55 49950.57 54305.53 36715.77 31680.16 62665.46 74316.87 64351.04 41399.15 29211.72 32346.46 36592.67 91440.96 62602.86 190939.12 82629.73 11827.34 8494.38 27937.86 5160.01 15489.51 10613.78 10007.08 0 35061.55 17299.21 13350.32 11116.68 10377.6 10180.82 21503.51 19834.55 31832.91 27227.74 20748.44 25701.19 17469.63 3002.01 493.63 1028.81 3591.26 921.37 0 3254.17 2457.25 N-linoleoyl taurine 206766.23 178332.5 131103.52 179678.19 133182 134449.11 165309.56 141919.55 113717.73 62532.65 161302.31 103454.69 117519.85 141413.19 64496.67 206473 138521.58 127376.06 110593.88 140629.69 131731.39 106664.26 164629.2 142998.23 208190.06 101677.22 607727.69 472640.25 501164.84 497371.84 524104.41 442104 382456.28 520329.03 330907.72 451776.34 402654.22 346751.69 386032.41 254863.69 275953.72 350860.5 329304.16 389769.84 347872.38 246921.2 230544.95 164541.28 338295.09 355295.84 491297.66 333708.41 6410.05 3628.02 1671.6 5774.66 5197.83 4063.53 3022.95 0 6654.03 2926.65 2962.97 2572.16 1369.54 3396.7 4976.36 5943.2 4165.79 2855.43 4860.76 4888.4 4310.89 3725.14 454.12 189.52 592.28 170.42 0 0 0 FA_C26:4 63551.51 39386.44 26419.9 76642.06 28016.84 38059.82 39099.84 29413.3 41329.36 30157.98 83255.08 22858.31 23379.24 34383.48 13383.06 39721.26 31493.32 26773.97 35754.15 42312.44 32910.09 45484.31 61533.82 64230.64 52649.47 25701.15 40893.53 85974.44 61788.39 55934.44 34859.23 37392.75 27604.24 44129.06 45726.25 51478.98 77819.68 32797.74 39775.48 16545.87 20602.49 36728.62 44355.64 39207.05 28025.44 20526.1 20588.2 23644.27 40953.67 27508.9 112980.56 42160.19 951.52 3821.08 1778.36 5475.41 624.19 1937.71 948.21 0 1594.71 978.89 300.9 430.39 2498.56 583.99 1110.43 2533.41 4802.15 0 2591.68 3198.05 3137.35 1521.77 0 0 0 0 0 0 0 N-oleoyl taurine 472413.12 239241.42 181395.95 262057.08 276539.25 218092.5 219508.39 271607.66 148822.23 130661.27 431962.16 137483.8 126979.27 287334.66 111030.48 341814.75 195197.19 220636.19 111994.27 143154.34 200965.3 133119.7 256029.55 294676.38 325916.03 168593.17 1295423.88 552664.31 656905.5 675427.5 958510.81 623039.69 459273.72 952038.5 408517.03 923347.69 886291.5 416990.84 393646.09 436851.53 478653.22 508555.09 458563.22 659353.94 357404.88 268610.91 310918.47 183251.98 518297.78 677014.62 598441.88 475342.75 9087.11 5741.56 3509.4 10152.26 8264.34 6372.87 4347.64 0 9455.69 5634.46 5744.53 5047.64 2157.97 5933.81 7991.43 9905.86 9550.67 5000.52 5987.11 4948.27 6491.4 6166.96 535.64 523.6 1292.95 603.05 0 0 0 FA_C26:3 1432.9 2254.4 1832.39 4068.98 2357.99 0 3149.18 1424.92 2458.28 1396.09 3799.48 5011.32 4810.2 4641.79 1866.4 3890.56 2236.78 3709.9 5798.87 2273.89 3936.43 8144.93 4153.68 3738.04 4849.05 4820.31 3145.13 7700.72 2625.86 4008.16 3656.92 2251.9 1670.86 3447.3 2546.66 3956.55 3414.45 4007.94 4307.03 2540.22 598.12 4782.98 1765.59 5299.78 5791.83 2420.77 2030.89 3284.62 2892.03 5286.19 3867.72 4801.41 1350.2 294.15 271.75 303.04 931.88 502.44 496.08 359.54 2344.56 447.21 288.34 1089.26 1005.09 882.93 1668.75 2102.57 1958.43 936.57 3439.17 1319.58 6081.25 3993.34 197.37 0 0 291.91 292.16 240.66 0 N-stearoyl taurine 390317.66 333828.53 234165.38 308747.5 288437.72 286773.97 299555.91 286139.44 233663.62 122042.52 297575.25 181057.92 289505.25 358818.16 137620.03 414321.41 280387.72 297911.12 236126.7 281838.84 312234.16 259496.33 277300.47 285125.91 373555.84 188305.89 853098.5 657473.31 636285.56 648483.19 809526 635889.56 441463 783019.75 474476.53 556064.5 567768.56 448082.84 442288.88 343076.19 384663.88 434606.03 484331.66 598640.81 463484.84 313551.03 309226.28 263030.59 490248 531889.19 533316.06 456470.59 1970.07 2943.11 1370.67 2725.07 2368.34 2748.85 1414.36 0 3403.13 2773.57 1437.53 1524.85 4451.62 1217.44 3341.59 3774.56 3737.83 2472.5 2743.77 3620.66 1616.08 2937.34 322.01 0 0 312.48 0 1149.3 1473.15 FA_C26:2 3272.24 4341.33 4296.74 4331.03 3013.9 8283.75 3719.6 2125 3915.08 1093.34 6196.48 7855.63 3279.23 4999.92 2222.64 3731.28 2146.43 4443.15 5476.71 3011.61 5229.01 3986.29 6262.12 5565.12 3735.05 4184.7 7409.43 4890.6 8135.69 4598.03 7495.07 4250.44 4081.25 3494.59 5395.73 4328.11 4899.81 3614.57 5131.37 3355.36 2693.26 3311.13 3424.93 4048.22 5774.24 866.2 2244.65 904.43 3836.55 5864.52 6629.36 6776.53 1514.91 2117.41 587.76 1390.98 2455.53 928.94 534.66 185.12 2159.35 481.08 806.32 2218.3 1305.12 1646.28 2158.31 1597.23 568.22 2806.46 2221.98 2467.34 1891.43 3326.57 220.56 0 0 239.91 435.68 0 0 Hexadecadienoyl carnitine C16:2 14999.19 6658.18 744.89 9943.73 10135.39 3237.31 0 7587.94 3788.32 4428.84 12808.83 7442.32 0 1745.6 0 9950.02 4034.89 1926.82 8938.85 0 2329.96 2291.81 3170.64 11618.19 3936.77 3378.17 29005.08 0 0 0 26133.51 0 0 1540.06 0 26249.78 2414.86 11915.27 0 244.13 0 0 0 0 6377.54 0 0 0 0 6855.95 11183.28 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 Hexadecenoyl carnitine C16:1 107475.29 23443.98 12230.2 33239.83 47617.77 19919.77 4581.44 47907.41 15362.93 53105.98 92987.55 46477.91 0 17186.74 4081.67 38361.94 32092.67 9786.14 31424.67 0 26646.72 13503.02 43680.95 81153.15 32250.5 21546.87 149965.7 5511.07 4586.66 4904.25 136935.61 5235.05 288.32 20786.33 9324.29 181910 19306.49 45181.64 0 2194.69 1730.92 4230.21 1898.79 5992.84 30988.6 0 2137.42 255.73 7158.45 48375.97 65807.85 8342.89 353.78 0 0 0 540.03 0 0 0 0 181.95 0 0 0 0 928.28 1036.13 0 0 386.36 0 0 0 0 0 0 0 0 0 0 S-Adenosylmethionine 4390.83 5036.91 4554.06 4306.27 2892.09 4206.02 5802.08 3427.93 4457.41 1575.45 4857.93 3704.72 3765 5309.92 1657.35 7505.06 5087.71 5072.04 3159.07 5388.47 6933.44 5320.99 4784.1 4551.96 7524.92 5100.09 3791.45 5881.66 5802.06 4651.99 4282.84 3542.65 3190.27 5629.92 3866.13 4406.31 4147.84 4560.05 3445.33 2571.08 2213.46 3179.19 2643.62 4111.61 3026.22 2191.62 2373.3 1273.94 3733.75 4299.02 5966.45 3800.69 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 L-Palmitoylcarnitine 218903.75 52037.34 27024.82 78523.71 143786.62 49435.71 14747.84 160320.3 22934.71 139606.11 193197.33 85502.36 2931.31 36148.91 14891.74 63133.2 69320.96 15983.41 50851.22 3417.82 48027.34 17492.84 80545.98 209220.2 73956.13 33959.49 245722.95 16822.38 10439.9 11810.36 266477.72 17873.25 4295.9 39583.74 25851.88 289622.25 38347.91 82582.55 3589.07 3790.4 4945.81 13416.78 6409.18 12868.34 47494.91 1981.75 5919.02 2945.4 17353.25 68383.2 95481.97 13328.65 667.56 0 213.24 0 890.66 0 0 0 896.57 351.03 198.13 0 0 168.14 1675.11 1811 747.49 198.6 745.4 0 558.31 0 0 0 0 0 0 0 0 CDP 26103.44 45682 54772.58 27278.82 22776.92 35451.24 42789.3 24697.94 23491.79 10066.79 22647.73 17434.32 28469.3 41819.75 14716.21 52895.9 32096.32 23429.06 33416.29 31306.26 29740.73 30050.1 42720.6 28219.13 16634.26 15901.13 14199.28 29082.5 24132.52 21902.33 26641 25455.74 22235.92 22549.02 22131.94 20871.81 19480.32 19496.67 17585.17 14680.09 13919.13 28261.45 20718.47 21809.7 25440.03 18982.55 18655.44 11823.16 18324.04 28891.58 20951.88 19608.62 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 136005.55 158549 199141.86 127850.16 103725.79 170256.11 191720.58 103514.46 134599.55 50115.55 105414.2 97915.98 139379.17 173180.5 92334.2 203180.31 145239.05 109890.21 131900.17 156553.8 163091.39 145247.33 199905.73 123004.44 165399.83 93567.5 53007.56 128616.15 119767.52 113452.28 106037.03 124708.45 106715.21 121482.66 130466.24 124603.85 82440.86 117824.84 98644.9 65102.11 76401.65 140400.11 96570.4 110166.57 127593.51 78353.35 73453.02 53562.22 113874.44 121603.96 135700.08 106180.71 0 321.39 0 0 0 320.79 0 0 0 0 0 0 0 411.78 0 0 0 0 0 0 0 0 0 0 0 0 0 152.11 134.69 Cortisol 21-acetate 8507.27 4646.13 1831.36 6778.61 29203.12 9340.93 4309.9 5919.66 4738.31 2053.58 7162.98 2473.46 4229.68 5931.96 2446.65 5805.75 12982.79 3050.32 9773.39 5602.8 4727.91 5629.26 12418.04 5647.36 6639.06 6705.34 13039.02 3372.55 6946.6 7711.46 23852.82 8927.96 7829.7 5460.85 6158.02 9302.97 10764.04 8522.66 7320.85 3068.25 5403.66 5620.02 5751.2 7462.59 11125.44 6311.58 1988.51 4435.13 10788.78 6622.86 5982.52 9430.88 221.19 1264.86 0 239.86 1162.93 4013.9 0 1087.43 0 955.72 2258.79 672.28 2359.58 451.21 1962.06 1071.59 2309.52 3256.97 2442.9 3134.22 11380.88 2150.66 228.52 354.97 190.65 0 2766.2 760.52 678 Cholic acid 11778.84 1226.52 188660.36 27926.94 11306.13 367235.16 5197837 37890.44 35144.26 29715.74 34202.04 26425.23 76508.37 93821.41 97282.13 146057 24570.49 95734.5 142177.11 93283.87 6482.48 60022.61 313294.28 265232.47 0 163684.3 26704.31 26821.85 65963.56 12413.49 11024.55 44773.11 100248.07 38571.07 33281.72 50254.26 38558.19 12406.96 67466.43 57585.94 115816.27 62291.56 105566.16 267262.25 115431.52 69417.65 21361.16 54676.27 340824.62 209698.12 3007.96 148683.81 17640 7380.31 14101.5 20090.39 29599.48 73696.09 76511.72 0 56620.39 1045618.06 86265.28 87979.32 67219.01 89957.12 1552614.38 207669.12 44361.61 153762.05 628582.75 23022.14 65939.41 864007.69 162357.75 55635.78 2766.52 59960.11 0 0 0 N-arachidonoyl taurine 13252.53 18707.16 11987.68 16956.13 11156.28 10790.92 14320.45 10914.72 11468.45 7872.73 15375.41 14629.78 11955.75 11831.52 6063.32 20262.53 16380.11 12482.18 10703.63 15498.39 14624.99 15796.55 19055.74 13498.87 19894.06 10270.62 22771.03 33774.24 24574.81 29926.79 31951.84 20731.67 18185.29 20234.86 18816.62 26629.37 18744.84 30665.28 23396.61 14987.4 14730.78 20565.45 23443.06 23314.74 23207.54 14547.14 12864.46 10348.82 26645.86 23303.82 40834.78 21721.04 1098.29 475.35 0 1031.99 640.94 500.97 344.85 0 959.38 496.19 0 0 238.92 390.82 993.1 1005.13 1028.64 319.08 0 839.44 978.58 679.29 0 0 0 0 0 0 0 Linoleoyl carnitine C18:2 36300.2 9160.19 2696.61 0 2102.39 6804.8 4036.57 8635.64 6228.46 5285.58 18141.83 4634.86 3974.81 6398.38 4053.21 12807.22 15238.02 19839.55 8861.87 10914.6 13749.01 52299.61 3752.71 8948.77 0 26725.4 2873.46 0 3383.84 12681.88 6483.28 9748.8 5328.33 7648.93 14236.63 7977.64 7029.47 6756.97 7565.88 3836.88 6014.86 20482.44 10936.64 25721.61 7085.65 4625.79 5377.8 8302.41 2626.57 10164.61 3334.45 8127.39 5075.23 7337.11 1135.16 14182.87 1973.12 4386.12 952.39 3749.84 4594.02 3550.23 2048.38 3658.61 3573.28 3299.22 9207.01 14635.32 57229.75 5157.43 10097.72 16209.69 7541.32 25076.68 234.08 2619.66 1282.66 616.97 4080.09 1723.07 2509.23 Thiamine pyrophosphate 25211.72 32088.84 30026.62 31274.06 14340.46 8809.76 22383.73 15644.17 10193.18 2472.46 25524.45 27397.39 32894.9 31612.75 58036.5 9546.01 30904.18 29581.99 29539.9 29319.4 23589.05 25379.08 30400.82 32807.18 11448.13 20465.22 17773.95 17949.66 15469.22 17563.42 17737.56 17272.89 12954.52 15017.78 13055.56 6474.74 18134.79 8834.45 15837.19 6003.27 10783.43 17266.63 6717.09 26744.29 29273.9 8221.33 18117.58 8470.75 16113.05 22268.96 24106.02 19318.05 495543.25 547569 442203.41 516383.09 427680.16 468707 538408.19 225316.8 540670.31 542619.81 493572.88 637469.31 480983 455056 607022.44 448947.88 562302.56 609753 556894.44 674450.19 483009.41 438650.59 171040.3 168283.91 334791.03 236153.55 18186.29 24949.23 16373.17 Oleyl carnitine C18:1 199373.23 20782.38 5652.18 38908.55 58485.07 12935.98 7071.43 62072.06 8371.25 68364.75 202226.42 68362.53 794.94 23123.02 5426.54 32308.24 38649.97 12956.71 29857.93 1611.88 38665.91 9018.15 44518.42 143068.17 36189.83 16214.52 134826.81 6878.88 1603.35 3233.82 128844.75 2368.6 261.4 21390.35 5325.11 277183.28 23904.67 32729.53 901.47 2630.45 867.5 1347.84 2262.19 6302.23 18968.44 0 3106.36 895.21 1894.33 37357.93 52637.14 2780.98 263.79 179.6 193.74 0 476.09 0 0 178.51 0 390 202.73 0 0 0 0 482.09 333.72 0 0 0 0 0 0 159.62 173.93 0 0 0 0 Cysteineglutathione disulfide 41602.21 34118.34 63049.89 34133.31 25874.62 65389.32 70569.12 34408.33 55165.04 14245.22 39751.72 38187.8 51238.89 68417.41 39393.42 124487.44 72212.59 48527.88 44786.62 66266.53 64577.19 55641.14 72573.53 59603.69 80838.03 53595.55 22023.94 47809.96 33907.34 33307.89 38367.78 48706.19 26097.51 35723.56 22978.67 33834.84 17333.89 26774.7 38802.8 20886.09 32925.16 30494.21 33132.03 44809.92 45223.71 20243.65 13996.81 13152.62 20120.28 30790.64 26967.34 36547.4 3862.39 4769.91 946.66 2842.34 11229.86 6422.64 6286.55 0 4252.86 5629.23 4022.81 5233.93 2365.39 6572.91 7678.28 10891.15 14824.37 9568.03 10367.66 14119.54 10943.08 7686.39 920.46 0 624.36 293.41 0 0 0 ADP 4516964 5475695 6297052 3896776.75 3435106.25 5112574 6136608 3657264.75 3642715.75 2084734.38 3656403.25 3798822.75 3881652.25 4365422 2873637 5314568 4351400.5 4271090.5 3819325 5367466 4418991.5 4533030 5113584.5 4025786.75 4382467.5 3512583 1517229.12 2795821.5 2453311 2144045.75 2766615.75 2404543 2199204.25 2650508.75 2343423.5 2520182.75 1791529.12 2246923 2171095.5 1383675.25 1518082.38 2615180.75 1723599.62 2311226 2625038.25 1507549.5 1337948.62 1015754.06 1627171.62 2701726 2121993.75 2031204.12 3138.5 2803.93 2231.19 2054.38 1345.28 1231.83 674.02 1106.15 2123.06 511.78 1400.64 531.17 1416.52 814.87 458.57 1057.6 784.56 958.72 492.54 445.97 456.28 813.32 628.08 375.26 516.65 0 12683.4 0 0 Stearoyl carnitine C18 25411.51 2494.32 1495.92 6151.34 9487.91 2498.34 2530.8 10654.69 3055.16 12332.35 25039.65 17511.41 0 4061.51 1142.84 5232.83 6585.12 3624.92 5632.13 0 7730.87 4361.05 11626.59 27814.58 5898.81 3005.05 17447.94 721.88 681.19 301.81 19188.09 251.97 0 4149.59 417.17 40296.88 4622.1 7235.16 0 502.54 0 0 342.64 2241.27 4010.05 0 260.2 228.11 708.52 5663.34 9124.88 0 0 0 0 0 0 0 0 198.92 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 164.08 0 0 173.65 0 IDP 3744.78 3506.27 2609.81 5468.79 2222.11 10458.65 9904.38 1146.76 2005.86 1748.9 4194.29 3135.11 5630.74 4728.65 4748.58 19392.14 3959.7 4210.13 7154.53 11175.31 4323.19 12671.21 17553.66 4825.41 12306.43 4822.04 3588.56 0 1628.01 3549.3 0 0 5661.02 722.11 1035.08 0 0 0 2980.86 0 1628.21 4516.82 3497.96 2547.33 0 426.84 0 0 0 2448.73 0 518.42 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 27500.43 54155.2 46531.08 37801.57 28729.8 43691.79 66511.35 27729.08 27780.18 11841.19 15071.32 25050.06 25362.57 41820.95 11779.8 40776.39 21606.8 29105.48 30233.53 37367.25 47062.66 26267.63 43648.64 38292.33 19555.46 25893.15 16467.24 36352.95 31080.09 24252.88 28580.21 26087.44 22409.36 32686.36 29545.13 20809.32 22407.07 29191.95 19955.74 19217.65 14829.45 30725.88 16836.02 31126.12 28667 15096.82 14114.22 11001.59 20705.41 28013.47 20455.48 19196.19 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 241912.23 185129.45 152372.5 150501.23 119813.71 144275.67 204873.7 110907.63 126729.57 73628.92 204442.58 153870.02 116474.1 136767.23 60736.54 223171.12 144635.64 101956.29 145430.36 174576.23 173858.75 124297.97 213936.33 144910.7 293120.72 126153.54 309188.41 323649.78 461837.78 282516.97 299913.59 322932.91 277590.78 356864.78 281724.5 276587.84 269923.41 287197.66 298676.53 213744.06 222231.7 315370.09 332385.72 281876.44 287955.72 225254.08 179749.86 128686.23 287469.06 315555.75 392235.88 296626.53 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 Flavin Mononucleotide 10151.42 6506.76 5789.49 4725.9 4309.03 4749.22 3823.29 3341.92 4148.24 2325.88 4821.7 5231.43 5179.41 4743.93 1670.7 5518.21 6005.19 5322.7 6010.21 7422.94 7817.16 5624.13 676.13 5158.46 4521 5789.38 8333.37 8373.17 6898.96 5228.62 7837.61 4067.44 4806.54 7238.69 5677.87 8540.86 6276.87 7524.76 2355.87 4921.83 4394.49 7297.85 3612.45 3345.25 5418.21 1427.32 5021.98 1864.62 1873.12 4212.31 4245.63 3959.59 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 Cholesterol sulfate 322197.22 361296.5 321754.97 224941.73 307439.59 305596.62 303207.16 360687.28 668053.44 581167.19 555262.69 261583.3 176794.89 333600.84 113352.19 179616.61 215435.23 366204.03 286864.22 396267.34 470801.41 248357.61 554101.62 222127.89 343510.97 207414.81 794144.25 705834.69 737384.69 483120.16 578018.75 683912 1025734.31 650444.75 1228828.5 925264 1112109.88 774225.19 568825.06 859567.69 386384.16 496437.88 622297.31 907162.5 673344.81 1090115.62 1250342.62 697318.44 1072327.12 503089.25 682345.25 434262.53 837447.94 889051.19 433979.78 843395.5 1273471.88 761559.69 561060.69 39082.58 2094339.62 774575 757605.69 905085.56 678448.94 967977.44 442829.22 776669.44 1164129.38 1038385.06 1637910.62 1682877 1598059 1097979.5 96870.27 38946.03 143026.98 49057.86 2247.78 2156.91 2501.95 Thymidine 5'-triphosphate 4220.79 8824.94 3451.71 3785.97 5539.72 1605.02 8944.87 2229.33 7592.29 1816.74 1153.24 2326.65 6557.95 6810.64 4205.32 12758.43 6778.84 6894.08 5863.16 7948.68 6266.74 9443.31 8445.93 6387.71 3307.82 4372.32 1090.36 4835.39 3789.73 2638.86 3970.51 4310.49 3989.95 5410.32 5259.3 4234.73 2500.99 5448.42 5905.43 3364.21 3323.73 7760.93 3372.23 3776.03 9854.19 1489.93 2159.72 1796.53 5308.03 8099.04 3881.39 6262.43 183.23 214.21 0 0 0 0 413.84 0 0 0 0 0 248.48 0 0 199.32 0 0 0 0 0 0 0 205.62 0 0 0 0 191.86 Cytidine triphosphate 90605.37 124637.19 132480.5 93206.96 69194.74 106762.12 149102.12 61782.32 73485.11 30446.95 65548.96 86811.09 132143.8 116890.16 83345.49 139552.81 114046.97 107103.46 118266.38 142083.61 146725.55 134844.12 172921.27 118435.98 107870.75 101744.97 50443.71 91763.77 106716.12 92582.46 95976.03 97518.12 92206.09 104161.29 103415.44 76672.51 71309.41 87488.84 67784.15 58162.69 44444.68 107116.62 71161.41 80156.4 89349.87 60767.96 62003.27 32875.53 65658.07 92828.82 81517.75 67730.5 0 0 0 0 0 0 199.2 0 0 0 0 0 0 0 0 435.73 0 0 0 0 0 0 0 0 188.01 0 0 0 0 Uridine triphosphate 568613.69 724130.25 851178.81 519805.91 489169.25 812422.25 883029.31 436226.5 495029.5 248393.2 418938.25 457916.34 748900.44 875827.31 454050.91 871042.31 706824.56 564184.56 625746.62 776350.94 746975.94 666275.19 1019414.81 613062.81 736169.81 522223.38 283796.53 595123.44 605894.62 479613.84 512768.66 506518.12 515874.72 603066.25 594150.69 469882.59 377599.62 503129.22 450227.62 303433.22 308144.12 538650.81 464058.59 454106.16 535974.44 317828.62 285084.94 228807.88 445914.25 588381.81 587305.44 481417.75 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 1344.06 0 0 Tauroursodeoxycholic acid peak 1 339820.75 120313.74 360297.66 5708090 23318.95 4294386 6010416 41956.13 90399.24 8948.9 329403.28 3669460.75 76838.29 150799.73 86866.72 60634.66 32686.87 96398.75 30364.56 128828.24 30428.89 31148.13 307844.09 93091.68 24103.38 25425.42 4257756.5 1993237.38 116374.5 1849858.88 59018.05 55054.77 57372.93 129018.21 56467.27 70966.69 201569.36 153750.75 76088.6 305596.72 44118.2 17156.29 45514.62 371814.28 30319.49 88343.06 16792.96 13044.32 254450.42 88051.53 25382.44 23807.34 48904.05 23827.82 77429.88 27761.98 15859.32 356309.97 14357.71 3354.89 228775.36 416446.88 29157.15 36779.94 14029.78 21676.07 518538.16 31589.77 62455.16 41634.36 33368.24 34425.96 29806.09 336756.41 40085 1008.23 3489.65 1384.42 1732.78 2587.03 996.9 Raffinose 15867.41 28756.55 8743.98 16156.65 5914.07 16783.59 13480.29 6763.42 5869.85 3955.72 37191.85 13987.5 10509 6836.98 3904.98 11206.09 9480.76 6309.85 7667.98 12298.09 7354.68 9613.46 19844.26 8520.27 24605.26 16729.13 55538.89 39028.33 30248.32 45540.25 18617.78 18230.14 12258.94 78341.27 11273.21 18576.49 52532.3 34308.74 32522.62 6879.05 6401.03 14044.23 9636.43 24359.93 11941.63 9634.21 13187.09 3738.97 20669.81 14759.84 23857.31 12407.93 0 0 0 0 0 0 0 0 281.27 0 0 0 0 242.62 0 410.19 0 261.68 0 0 0 0 0 0 0 0 0 0 0 Adenosine triphosphate 50206572 52339120 52859164 26350290 30012950 47975516 46384356 23930688 27591418 14406899 27085226 28032232 34801420 39331300 27214480 39423572 33869640 35437876 31427926 40968668 35406948 35231920 41237728 31710802 29768422 24551494 10884276 18985528 18406162 15478873 18229202 17815054 18145936 20089000 18046936 17544052 14055676 17233746 18107274 10389779 11418832 19754568 15168861 17476074 19347438 11781413 10221584 8691405 12873151 22484288 16601515 15571589 16069.06 12338.22 11838.95 9047.16 6633.55 8069.1 6308.08 3163.56 5029.03 4318.01 4179.33 3603.29 2741.69 3861.36 3848.46 3054.75 2613.6 3521.68 1437.37 2037.11 2652.1 1461.76 1884.34 870.01 1642.44 1655.11 69884.02 0 0 Guanosine triphosphate 76539.65 112282.6 97094.27 71467.13 75505.79 118771.88 123159.6 55987.23 71092.91 39096.74 68196.7 63813.69 88336.13 106831.54 60189.32 96355.35 106210.19 84241.65 64335.83 110988.32 101767.76 83591.19 114333.84 106342 106270.25 89330.77 44951.27 85736.04 84083.62 71759.45 90070.79 78267.05 58940.45 78204.05 63849.24 72369.4 68121.16 87960.6 71365.48 48928.16 48103.97 86249.34 56530.21 66067.04 72233.54 47058.21 32019.95 25939.46 52859.27 86254.91 69225.5 49135.02 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 0 0 carnitine C26:0 13060.75 63921.8 37831.91 278104.09 130181.77 1591.66 174601.09 119626.09 55413.11 22757 62679.37 68056.26 7053.27 14460.16 31457.11 127799.03 59987.66 41727.01 64730.41 127759.74 31692.83 10950.63 166202.84 80518.21 115097.72 1806.99 5545.99 3126.29 163230.05 32755.17 340785.34 49995.7 147403.98 46524.5 13489.51 36303.69 55894.89 47830.88 42666.7 62374.79 33544.48 879.51 147150.16 43316.38 41796.46 19955.35 13101.61 7731.71 24814.45 64956.39 10415.77 13380.2 119667.45 53855.73 84227.11 176229.42 229403.17 87395.59 58766.58 5534.2 180485.05 128274.19 46754.37 79603.77 14918.56 238156.08 65182.44 45650.59 223632.8 36456.11 248644.75 14306.64 43007.36 71436.82 2905.05 3265.73 16496.4 4064.5 7322.92 9232.09 17924.65 ADP-ribose 351963.03 695787.56 118108.48 407179.75 230316.5 451248.97 778034.81 184970.5 134831.89 58294.14 453187.09 459729.47 383628.34 205655.23 110155.94 691755.19 453204.59 196897.95 313701.47 388824.59 307974.91 376118.91 523050.25 589585.88 643812.56 847876 1279855.62 557151.94 418116.53 503097.38 608076.69 270525.16 219825.5 652123.5 350870.34 500055 572658.69 684922.12 468617.22 214798.89 119949.68 375020.59 181018.98 384886.34 198288.44 174295.02 239893.38 130873.15 513580.78 476409.22 305662.34 247292.38 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 glucose 231847.55 228184.45 193913.14 239798.05 183165.45 156168.11 219509.5 165764.8 184507.2 118610.99 245213.36 189068.3 154214.36 189724.33 83350.74 320898.34 227501.52 164166.11 209459.55 205579.45 269079.47 210482.08 318694.16 191849.88 313397.97 170513.48 254473.38 357820.47 303164.38 346830.53 339630.59 314361.5 270447.69 336449.97 302543.34 239444.88 256816.58 230612.17 197525.33 204812.08 190023.39 302607.44 302892.72 206691.05 247679.36 166943.45 186912.38 144960.12 307424.47 254092.38 283267.19 294816.66 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 carnitine C28:0 360602.66 195595.55 307104.72 508417.75 250539.83 362113 246587.7 111436.19 113171.55 32746.01 444775.22 216680.67 66373.59 198649.38 66583.76 325107.41 205566.05 58784.32 101783.97 71723.62 105657.31 71464.28 131103.83 163974.61 279830.41 38765.44 529682.19 515810 361697.91 249083.8 119715.16 91371.01 226539.48 481095.5 280895.25 598137.25 559512.69 329419.91 197214.69 95282 77052.98 292543.72 213535.8 230110.7 396024.91 64884.32 28173.05 82418.25 160332.66 691399.19 614335.25 156262.02 447702.62 341702.12 83959.76 345359.97 287200.25 200964.33 83954.07 12400.11 406284.5 142752.42 151788.44 196758.3 51308 216457.45 268412.66 204891.2 239330.67 122220.46 230218.75 136836.17 286973.25 213027.38 4290.76 4499.88 21645.66 224.05 9352.77 10905.62 6693.67 Uridine diphosphate glucuronic acid 31634.29 37730.8 48320.27 37992.48 22545.64 40156.51 67800.34 25024.06 39709.34 8636.69 34065.57 37035.73 41620.02 47394.38 16970.02 88133.4 51678.62 37684.16 48916.98 75753.68 82514.62 50390.19 81913.07 40575.05 100894.38 34214.52 37468.38 30999.23 39790.16 32094.21 48963.46 28028.09 29200.77 30454.26 38068.82 34163.71 34896.95 43613.58 20234.21 15604.19 16160.97 35864.21 28989.53 24063 28695.22 20082.15 18099.21 9876.12 35614.08 29852.56 36532.41 27267.51 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 ADP-glucose 13194.41 13853.95 11523.49 11034.85 10066.46 10768.05 14469.41 9952.02 11342.13 3600.27 10046.07 15988.64 9104.86 22763.37 4857.52 27120.33 14390.83 13265.95 11013.31 14790.98 17753.72 13182.82 12011.7 11566.1 22183.34 10744.7 21038.76 21851.27 17871.46 20723.5 21619.63 11647.44 11136.03 20896.24 10829.13 17913.11 24838.59 17167.16 10173.74 6559.33 6459.75 11021.69 9556.12 10212.06 10338.93 7517.72 6323.92 3870.29 11070.52 9664.39 11451.08 8467.53 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 GDP-Mannose 48836.41 57184.33 43680.36 50357.26 33850.78 47592.59 59887.03 27195.05 37708.51 19497.4 54770.19 45366.14 43719.42 52852.67 20816.76 68699.21 53600.26 48550.57 45079.44 78205.44 54464.68 50453.28 61800.7 42100.64 80736.77 42161.52 26569.05 26699.41 38802.07 25902.65 38293.37 31959.6 28121.67 44215.83 38968.16 44494.09 37141.64 28509.9 41079.43 23060.11 20146.89 50273.41 33742.94 29688.21 48604.61 23118.93 22459.68 14087.08 34410.27 55014.46 43857.48 39230.94 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 251925.67 362665.41 286798.22 298170.69 226800.89 277288 441084.28 206284.89 336084.91 82731.15 219601.58 244022.2 328150.34 426655.84 125621.35 640270.81 380131.28 246104.67 328687.62 359824.16 391220.66 286301.34 494260.62 343220.59 615385.06 324881.12 283036 471542.66 402655.22 371677.88 364939.09 337341.47 318183.72 330596.22 416986.09 352611.84 316541.03 353984.75 389521.09 269683.97 269743.09 394721.28 360207.41 355784.84 452573.22 208422.83 206686.61 169551.33 586495.25 425675.53 543288.19 475435.62 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 Oxidized glutathione 200288.89 288428.53 214578.75 155698.2 118080.76 203977.02 228159.95 134019.98 122454.12 40738.13 111822.7 107907.46 224194.23 352152.84 93929.03 547088 352265.34 290733.28 274727.97 455647.84 456731.47 276302.47 501258.84 289368.22 746560.75 286913.41 409990.72 492002.09 610190.94 476377.22 529666.69 505808.41 415937.25 584822.81 448716.5 515514.47 433510.75 538231.56 607555.06 328444.12 326035.41 678901.94 499090.62 626245.81 587379.44 399985.59 332060.12 186081.33 597025 473723.38 756490.31 542916.94 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 0 611.64 0 0 CMP-Sialic Acid 18122.68 27732.34 12373.83 7097.43 10481.66 8024.71 16303.2 9668.17 11863.98 2020.39 6162.09 4242.01 19301.33 26152.53 7093.59 36306.5 28955.48 18261.49 20439.42 38621.46 36531.85 25325.18 44282.57 16668.02 48254.77 16987.44 24902.31 36241.72 48582 32981.96 39922.44 37622.52 34275.88 46576.06 30331.5 33234.79 29852.93 39006.63 37616.04 24102.78 22097.7 48993.73 39925.07 51166.43 43166.9 38140.58 23044.35 11756.02 48459.33 38635.54 52029.49 34426.34 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 NAD 3235348.75 2705863.75 3490102 2489096.75 1585142.62 2596467.25 3770676 1407665.88 2923258.25 638438.56 2116514 2614357 2650215.5 4638688.5 1134487.88 4812260.5 2558824.75 2443198.75 2199011.25 3724235.25 2782593 3289748.75 3034843.25 1521563 4547330.5 2391839.75 3828866.75 2771550.25 2727548 2682647.25 3951381 854085.81 829186.69 2874380.75 776283.44 3427690.25 4080550.75 3284111.25 851967.31 511104.72 578423.81 642923.69 577559.38 668785.56 733212.31 397695.91 339790.44 280608.84 1244322.62 751070.75 737113.5 632872.31 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 2392.91 0 0 NADH 74825.44 90063.54 132951.92 203792.83 150995.8 74532.44 193916.05 148170.06 84551.62 10038.04 75592.04 83734.25 66308.94 165158.97 15821.09 376762.16 143869.39 85159.4 76718.3 160298.75 181609 108048.18 68398.52 29857.98 211093.19 79126.34 109773.44 200973.08 221243.89 229239.73 206575.94 175236.55 164004.89 178707.17 161622.44 159141.23 89292.01 62501.81 80879.79 170045.75 109097.62 223550.36 153626.17 95833.01 139413.88 107792.2 111914.63 18517.19 130148.3 76534.03 159024.81 85617.51 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 Stachyose 0 0 0 0 0 0 0 0 0 0 229.73 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 350.11 0 0 0 0 0 0 287.52 0 0 896.24 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.81 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADP 39941.17 54241.62 62297.58 29700.6 31655.7 64671.11 46335.09 25428.18 53032.44 17326.35 26367.59 38918.5 61241.11 60075.78 44091.03 54714.67 29614.06 49705.04 50349.02 62076.25 43389.44 59280.55 59368.14 37205.3 69619.68 41320.43 40089.27 33116.94 42744.56 37506.19 59776.41 48992.11 53742.41 43526.93 48096.94 48982.28 38521.82 46835.07 42698.76 17376.45 25313.91 51002.67 39544.16 53387.99 65551.84 38031.33 26180.1 22233.53 25018.73 69154.91 32010.49 35873.15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 599.01 0 0 0 0 0 0 0 0 0 0 0 0 Nicotinic acid adenine dinucleotide phosphate 28104.15 55029.86 86504.98 18042.1 11953.23 59011.45 96695.98 12822.43 32069.34 0 38142.51 14772.12 35929.97 43455.69 25560.35 24540.03 26421.93 39427.98 49554.51 59420 25337.47 34916.09 72725.88 23692.97 36771.24 24495.98 0 7441.32 8060.86 4368.6 0 5867.52 6424.47 3170.3 3037.25 3619.76 0 2107.24 3108.78 1828.66 0 2134.24 0 2613.67 0 0 0 1552.43 1967.94 2852.28 4088.52 0 0 0 249.98 0 0 351.64 0 0 0 0 278.93 0 0 0 0 253.57 0 0 0 0 0 0 0 429.03 0 0 0 0 0 FAD 19087.58 16888.86 8591.76 9957.42 3885.31 5323.48 6530.86 0 5929.6 0 5279.43 5163.14 3367.99 4877.66 392.57 26197.4 5543.28 4098.96 2826.51 11824.51 7589.22 2395.31 713.81 1031.41 20420.52 3861.39 29729.19 28119.74 48839.22 29332.72 32861.49 23424.84 24854.79 121598.25 17402.32 30323.8 16196.7 30998.81 3209.46 3687.29 4795.22 60726.03 9461.36 9320.18 23944.09 0 792.38 0 21501.89 9901.21 35550.08 11845.41 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 Acetyl-CoA 10654.77 6779.18 12551.73 11230.36 5094.46 13511.8 20778.79 3534.86 5885.24 546.47 7850.35 6964.35 6467.36 14941.73 981.58 18992.55 12869.19 10204.64 5976.77 13964.32 9380.75 9520.99 11609.32 3425.48 18181.23 8841.84 26866.93 33786.57 30419.81 23761.17 26151.95 18800.53 15154.26 38108.39 25658.63 26130.26 29617.48 34011.29 14848.07 10213.7 10823.69 26821.45 14347.24 14993.92 19713.68 7827.55 10133.05 1695.96 20780.39 17655.94 31453.21 18730.02 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 0 0 Succinyl-CoA 0 1458.5 3657.82 0 0 4910.25 4687.07 4694.21 10779.69 0 0 0 5318.5 11880.49 2480.35 7432 4816.05 6445.1 0 5370.36 0 2991.37 1881.99 1689.05 0 1753.19 0 0 0 0 0 4806.88 0 0 812.41 0 0 0 0 0 3186.91 0 0 0 0 0 0 1288.48 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 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Formula rt HMDB PubChem ChEBI KEGG METLIN 2-Methylhippuric acid C10H11NO3 2.96 HMDB0011723 91637 613303 ⇥ C01586 NA Tryptamine C10H12N2 8.34 HMDB0000303 1150 16765 C00398 325 Deoxyinosine C10H12N4O4 7.61 HMDB0000071 65058 28997 C05512 3383 Inosine C10H12N4O5 8.43 HMDB0000195 6021 17596 C00294 84 Adenosine 2',3'-cyclic phosphate C10H12N5O6P 8.5 HMDB0011616 441483 27520 C08355 NA Phenylbutyric acid C10H12O2 2.68 HMDB00329 7012 1138996 5318 Inosinic acid C10H13N4O8P 13.68 HMDB0000175 8582 17202 C00130 5196 Xanthylic acid C10H13N4O9P NA HMDB0001554 73323 15652 C00655 NA 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 Thymidine 5'-triphosphate C10H17N2O14P3 13.85 HMDB0001342 64968 18077 C00459 NA Glutathione C10H17N3O6S 13.05 HMDB0000125 124886 16856 C00051 44 Argininosuccinic acid C10H18N4O6 NA HMDB0000052 16950 15682 C03406 5115 Capryloylglycine C10H19NO3 2.85 HMDB0000832 84290 74099 5795 Indoleacetaldehyde C10H9NO 2.65 HMDB0001190 800 18086 C00637 6068 Indoleacetic acid C10H9NO2 3 HMDB0000197 802 16411 C00954 5211 1H-Indole-3-acetamide C10H9NO2 5.05 HMDB0029739 397 16031 C02693 NA 5-Hydroxyindoleacetic acid C10H9NO3 7.13 HMDB0000763 1826 27823 C05635 2975 Indole-3-propionic acid C11H11NO2 2.98 HMDB0002302 3744 43580 6602 Indolelactic acid C11H11NO3 2.84 HMDB0000671 92904 24813 C02043 5641 L-Tryptophan C11H12N2O2 8.6 HMDB0000929 6305 16828 C00078 5879 N-Acetyl-L-phenylalanine C11H13NO3 5.17 HMDB0000512 74839 16259 C03519 5498 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 CDP-Ethanolamine C11H20N4O11P2 13.8 HMDB0001564 123727 16732 C00570 3538 C11:0(Undecanoic acid) C11H22O2 2.54 HMDB0000947 8180 32368 C17715 5894 Indolepyruvate C11H9NO3 2.57 HMDB0060484 803 29750 C00331 NA Lumichrome C12H10N4O2 4.13 METPA0216 NA 17781 C01727 NA 3-Indolebutyric acid C12H13NO2 2.9 HMDB0002096 8617 33070 C11284 6485 Thiamine monophosphate C12H17N4O4PS 15.01 HMDB0002666 3382778 37574 C01081 3488 Thiamine pyrophosphate C12H18N4O7P2S NA HMDB0001372 1132 9532 C00068 2832 Pirbuterol C12H20N2O3 NA HMDB0015407 4845 724172 C07807 NA Sucrose C12H22O11 13.34 HMDB0000258 5988 17992 C00089 137 Lactose C12H22O11 13.76 HMDB0041627 6134 36218 C01970 NA N-acetyltryptophan C13H14N2O3 5.9 HMDB0013713 700653 74640 NA NA Cysteineglutathione disulfide C13H22N4O8S2 13.8 HMDB0000656 53477713 NA 5628 Tridecanoic acid C13H26O2 NA HMDB0000910 12530 45919 C17076 5866 S-Adenosylhomocysteine C14H20N6O5S 13.37 HMDB0000939 439155 16680 C00021 296 FA_C14:2 C14H24O2 2.58 NA NA NA C14:1(Myristoleic acid) C14H26O2 2.54 NA NA NA C14:0(Myristic acid) C14H28O2 2.55 HMDB0000806 11005 28875 C06424 196 Uridine diphosphate glucuronic acid C15H22N2O18P2 13.8 HMDB0000935 17473 17200 C00167 5884 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 FA_C15:2 C15H26O2 2.56 NA NA NA FA_C15:1 C15H28O2 2.51 NA NA NA FA_C15:0 C15H30O2 2.52 NA NA NA ADP-glucose C16H25N5O15P2 13.38 HMDB0006557 16500 15751 C00498 NA GDP-Mannose C16H25N5O16P2 14.11 HMDB0001163 18396 15820 C00096 6045 FA_C16:2 C16H28O2 2.51 NA NA NA C16:1(Palmitoleic acid) C16H30O2 2.5 NA NA NA C16:0(Palmitic acid) C16H32O2 2.5 NA NA NA Flavin Mononucleotide C17H21N4O9P 13.17 HMDB0001520 643976 17621 C00061 6295 Uridine diphosphate-N-acetylglucosamine C17H27N3O17P2 NA HMDB0000290 445675 16264 C00043 5281 FA_C17:2 C17H30O2 2.51 NA NA NA FA_C17:1 C17H32O2 2.47 NA NA NA FA_C17:0 C17H34O2 2.47 NA NA NA sphingosine (d17:1) C17H35NO2 4.35 NA NA NA FA_C18:4 C18H28O2 2.5 NA NA NA FA_C18:3 C18H30O2 2.47 NA NA NA Raffinose C18H32O16 14.34 HMDB0003213 439242 16634 C00492 138 C18:2(Linoleic acid) C18H32O2 2.47 HMDB0000673 5280450 17351 C01595 191 C18:1(Oleic acid) C18H34O2 2.46 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 FA_C19:3 C19H32O2 2.43 NA NA NA FA_C19:2 C19H34O2 2.44 NA NA NA FA_C19:1 C19H36O2 2.42 NA NA NA Dodecanoylcarnitine C19H37NO4 6.97 HMDB0002250 168381 77086 NA 6573 FA_C19:0 C19H38O2 2.42 NA NA NA Oxidized glutathione C20H32N6O12S2 13.76 HMDB0003337 975 17858 C00127 6893 C20:4(Arachidonic acid) C20H32O2 2.42 NA NA NA FA_C20:3 C20H34O2 2.42 NA NA NA FA_C20:2 C20H36O2 2.42 NA NA NA FA_C20:1 C20H38O2 2.41 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 Cortisol C21H30O5 2.93 HMDB0000063 657311 NA C00735 5124 Tetrahydrocortisone C21H32O5 NA HMDB0000903 12444617 NA 1915 Tetradecenoyl carnitine C14:1 C21H39NO4 7.19 NA NA NA FA_C21:1 C21H40O2 2.4 NA NA NA Myristoyl carnitine C14 C21H41NO4 7.19 NA NA NA FA_C21:0 C21H42O2 2.37 NA NA NA C22:6(Docosahexaenoic acid) C22H32O2 2.37 NA NA NA FA_C22:5 C22H34O2 2.4 NA NA NA FA_C22:4 C22H36O2 2.4 NA NA NA FA_C22:3 C22H38O2 2.39 NA NA NA FA_C22:2 C22H40O2 2.41 NA NA NA C22:1(Erucic acid) C22H42O2 2.39 NA NA NA Cortisol 21-acetate C23H32O6 2.7 NA 5744 17609 C02821 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 FA_C23:1 C23H44O2 2.35 NA NA NA L-Palmitoylcarnitine C23H45NO4 6.38 HMDB0000222 11953816 17490 C02990 5231 FA_C24:6 C24H36O2 2.39 NA NA NA FA_C24:5 C24H38O2 2.37 NA NA NA FA_C24:4 C24H40O2 2.37 NA NA NA Cholic acid C24H40O5 7.03 HMDB0000619 221493 16359 C00695 206 FA_C24:3 C24H42O2 2.36 NA NA NA Stachyose C24H42O21 15.298 HMDB0003553 439531 17164 C01613 6951 FA_C24:2 C24H44O2 2.35 NA NA NA FA_C24:1 C24H46O2 2.34 NA NA NA Succinyl-CoA C25H40N7O19P3S NA HMDB0001022 439161 15380 C00091 5951 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_C26:6 C26H40O2 2.37 NA NA NA FA_C26:5 C26H42O2 2.35 NA NA NA FA_C26:4 C26H44O2 2.33 NA NA NA FA_C26:3 C26H46O2 2.33 NA NA NA FA_C26:2 C26H48O2 2.32 NA NA NA FAD C27H33N9O15P2 NA HMDB0001248 643975 16238 C00016 6106 Cholesterol sulfate C27H46O4S NA HMDB0000653 65076 41321 C18043 5625 Glyoxylic acid C2H2O3 11.6607 HMDB0000119 760 16891 C00048 3213 Oxalic acid C2H2O4 13.42 HMDB0002329 971 16995 C00209 113 Glycolic acid C2H4O3 9.09 HMDB0000115 757 17497 C00160 3219 Glycine C2H5NO2 13.3 HMDB0000123 750 15428 C00037 20 Acetylphosphate C2H5O5P 13.23 HMDB0001494 186 15350 C00227 6278 Hypotaurine C2H7NO2S 14 HMDB0000965 107812 16668 C00519 281 Taurine C2H7NO3S 10.78 HMDB0000251 1123 15891 C00245 31 O-Phosphoethanolamine C2H8NO4P 14.15 HMDB0000224 1015 17553 C00346 5233 carnitine C26:0 C33H65NO4 2.51 NA NA NA carnitine C28:0 C35H69NO4 2.5 NA NA NA Pyruvic acid C3H4O3 4.08 HMDB0000243 1060 32816 C00022 117 Hydroxypyruvic acid C3H4O4 3.92 HMDB0001352 964 30841 C00168 482 Malonic acid C3H4O4 13.04 HMDB0000691 867 30794 C00383 3237 Phosphoenolpyruvic acid C3H5O6P 13.86 HMDB0000263 1005 44897 C00074 5264 L-Lactic acid C3H6O3 7.8 HMDB0000190 107689 422 C00186 5205 Hydroxypropionic acid C3H6O3 9.25 HMDB0000700 68152 33404 C01013 5668 Glyceric acid C3H6O4 10.56 HMDB0000139 439194 32398 C00258 280 Guanidoacetic acid C3H7N3O2 13.1 HMDB0000128 763 16344 C00581 5163 L-Alanine C3H7NO2 12.99 HMDB0000161 5950 16977 C00041 NA L-Serine C3H7NO3 13.4 HMDB0000187 5951 17115 C00065 5203 Cysteic acid C3H7NO5S 12.5 HMDB0002757 25701 21260 C00506 332 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 2-Amino-3-phosphonopropionic acid C3H8NO5P 13.79 HMDB0000370 3857 244030 C05672 5359 Phosphoserine C3H8NO6P 13.94 HMDB0000272 68841 15811 C01005 5270 2,3-Diphosphoglyceric acid C3H8O10P2 NA HMDB0001294 186004 17720 C01159 153 Glycerol C3H8O3 7.01 HMDB0000131 753 17754 C00116 105 Glycerol 3-phosphate C3H9O6P 13.56 HMDB0000126 439162 15978 C00093 5161 Phosphocreatine C4H10N3O5P 13.55 HMDB0001511 587 17287 C02305 6288 Threitol C4H10O4 8.42 HMDB0094689 222285 48300 C16884 140 Uracil C4H4N2O2 5.03 HMDB0000300 1174 17568 C00106 258 Fumaric acid C4H4O4 11.61 HMDB0000134 444972 18012 C00122 3242 Dihydrouracil C4H6N2O2 4.4 HMDB0000076 649 15901 C00429 285 Allantoin C4H6N4O3 7.82 HMDB0000462 204 15676 C01551 89 Succinic acid C4H6O4 12.10826995 HMDB0000254 1110 15741 C00042 114 L-Malic acid C4H6O5 13.28 HMDB0000156 222656 30797 C00149 NA Acetylglycine C4H7NO3 8.73 HMDB0000532 10972 40410 5517 L-Aspartic acid C4H7NO4 13.46 HMDB0000191 5960 17053 C00049 5206 Ureidopropionic acid C4H8N2O3 11 HMDB0000026 111 18261 C02642 5097 L-Asparagine C4H8N2O3 13.46 HMDB0000168 6267 17196 C00152 14 3-Hydroxybutyric acid C4H8O3 7.73 HMDB0000357 441 20067 C01089 125 Threonic acid C4H8O5 10 HMDB0000943 151152 49059 C01620 5891 Creatine C4H9N3O2 12.98 HMDB0000064 586 16919 C00300 7 Dimethylglycine C4H9NO2 11.34 HMDB0000092 673 17724 C01026 277 Gamma-Aminobutyric acid C4H9NO2 11.42 HMDB0000112 119 16865 C00334 NA L-Threonine C4H9NO3 12.97 HMDB0000167 6288 16857 C00188 32 L-Homocysteic acid C4H9NO5S NA HMDB0002205 177491 488363 C16511 6545 D-Erythrose 4-phosphate C4H9O7P 13.76 HMDB0001321 122357 48153 C00279 6158 L-Glutamine C5H10N2O3 13.3 HMDB0000641 5961 18050 C00064 5614 2-Hydroxyvaleric acid C5H10O3 4 HMDB0001863 98009 60647 NA Deoxyribose C5H10O4 7.12 HMDB0003224 22833604 28816 C01801 3258 D-Ribose C5H10O5 10.6 HMDB0000283 5779 16988 C00121 313 L-Valine C5H11NO2 11.01 HMDB0000883 6287 16414 C00183 5842 L-Methionine C5H11NO2S 9.98 HMDB0000696 6137 16643 C00073 5664 Methionine sulfoxide C5H11NO3S 12.98 HMDB0002005 847 49033 6428 D-Ribose 5-phosphate C5H11O8P 13.67 HMDB0001548 439167 52742 C00117 6315 Ornithine C5H12N2O2 16.6 HMDB0000214 6262 15729 C00077 27 Methionine sulfoximine C5H12N2O3S 12.83 HMDB0029430 16118 47833 C03510 NA Glycerol-CH3COO C5H12O5 6.6 NA NA NA Ribitol C5H12O5 9.27 HMDB0000508 NA 15963 C00474 316 Phosphorylcholine C5H14NO4P 14.3 HMDB0001565 1014 18132 C00588 6326 Purine C5H4N4 6.54 HMDB0001366 1044 17258 C15587 6193 Hypoxanthine C5H4N4O 7.5 HMDB0000157 790 17368 C00262 83 Xanthine C5H4N4O2 8.25 HMDB0000292 1188 17712 C00385 82 Uric acid C5H4N4O3 9.19 HMDB0000289 1175 17775 C00366 88 Adenine C5H5N5 7.28 HMDB0000034 190 16708 C00147 85 Guanine C5H5N5O 8.51 HMDB0000132 764 16235 C00242 315 Citraconic acid C5H6O4 13.51 HMDB0000634 643798 17626 C02226 5607 Oxoglutaric acid C5H6O5 11.34 HMDB0000208 51 30915 C00026 5218 Pyroglutamic acid C5H7NO3 9.03 HMDB0000267 7405 18183 C01879 3251 Tiglic acid C5H8O2 4.07 HMDB0001470 125468 9592 C08279 6261 Alpha-ketoisovaleric acid C5H8O3 2.6 HMDB0000019 49 16530 C00141 5091 Glutaric acid C5H8O4 12.24 HMDB0000661 743 17859 C00489 3254 Methylsuccinic acid C5H8O4 12.79 HMDB0001844 10349 29003 C08645 6344 L-2-Hydroxyglutaric acid C5H8O5 5.24 HMDB0000694 439939 32797 C03196 5662 Citramalic acid C5H8O5 13.5 HMDB0000426 1081 15584 C00815 5415 Histamine C5H9N3 14 HMDB0000870 774 18295 C00388 68 L-Proline C5H9NO2 11.81 HMDB0000162 145742 17203 C00148 29 N-Acetyl-L-alanine C5H9NO3 8.08 HMDB0000766 88064 40992 5733 4-Hydroxyproline C5H9NO3 12.91 HMDB0000725 5810 18095 C01157 257 O-Acetylserine C5H9NO4 10.2 HMDB0003011 99478 17981 C00979 3270 N-Acetylserine C5H9NO4 10.51 HMDB0002931 65249 45441 308 L-Glutamic acid C5H9NO4 13.21 HMDB0000148 33032 16015 C00025 5174 N-Acetylasparagine C6H10N2O4 10.64 HMDB0006028 99715 NA NA Ketoleucine C6H10O3 2.51 HMDB0000695 70 48430 C00233 5663 3-Hydroxymethylglutaric acid C6H10O5 12.19 HMDB0000355 1662 16831 C03761 5344 2-Hydroxyadipic acid C6H10O5 12.83 HMDB0000321 193530 17023 C02360 5310 L-Gulonolactone C6H10O6 7.64 HMDB0003466 439373 17587 C01040 NA 5-Keto-D-gluconate C6H10O7 11 HMDB0011731 157 NA C01062 NA Pipecolic acid C6H11NO2 11.72 HMDB0000070 849 17964 C00408 50 N-Butyrylglycine C6H11NO3 7.56 HMDB0000808 88412 89963 5772 N-Formyl-L-methionine C6H11NO3S 6.8 HMDB0001015 6995182 16552 C03145 5945 Aminoadipic acid C6H11NO4 13.35 HMDB0000510 469 37024 C00956 5496 L-Cystine C6H12N2O4S2 13.8 HMDB0000192 67678 16283 C00491 5207 2-Hydroxycaproic acid C6H12O3 2.9 HMDB0001624 99824 86542 6332 2-Deoxyglucose C6H12O5 7.9 HMDB0062477 108223 15866 NA NA D-Glucose C6H12O6 11.75 HMDB0000122 5793 4167 C00031 133 D-Galactose C6H12O6 12.12 HMDB0000143 439357 28061 C00984 134 myo-Inositol C6H12O6 13.86 HMDB0000211 NA 17268 C00137 5221 Galactonic acid C6H12O7 12.7 HMDB0000565 128869 16534 C00880 3336 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 Hydroquinone C6H6O2 2.9 HMDB0002434 785 17594 C00530 6681 Aconitate C6H6O6 13.67 HMDB0000072 643757 32805 C00417 5130 Methylimidazoleacetic acid C6H8N2O2 9.05 HMDB0002820 75810 NA C05828 3774 (2E,4E)-2,4-Hexadienoic acid C6H8O2 4.08 HMDB0029581 643460 38358 NA NA 3-Methylglutaconic acid C6H8O4 10.51 HMDB0000522 1551553 37245 5507 Oxoadipic acid C6H8O5 12.4 HMDB0000225 71 15753 C00322 5234 1,2,3-Propanetricarboxylic acid C6H8O6 13.75 HMDB0031193 14925 45969 C19806 NA 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 Glycylproline C7H12N2O3 12.72 HMDB0000721 79101 356660 5689 N-Acetylglutamine C7H12N2O4 10.56 HMDB0006029 25561 73685 NA N-Acetyl-L-methionine C7H13NO3S 6.8 HMDB0011745 6180 165927 C02712 NA N-Acetylornithine C7H14N2O3 13.84 HMDB0003357 439232 16543 C00437 NA Diaminopimelic acid C7H14N2O4 14.7 HMDB0001370 439283 16026 C00666 352 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 Homo-L-arginine C7H16N4O2 17.98 HMDB0000670 9085 27747 C01924 5640 3-Hydroxybenzoic acid C7H6O3 2.96 HMDB0002466 7420 30764 C00587 6690 Dihydroxybenzoic acid C7H6O4 2 HMDB0013676 9338 545917 NA Gentisic acid C7H6O4 2.53 HMDB0000152 3469 17189 C00628 618 o-Cresol C7H8O 2.22 HMDB0002055 335 28054 C01542 NA 3-Dehydroshikimate C7H8O5 7.43 METPA0312 NA 16630 C02637 NA Pyridoxal 5'-phosphate C8H10NO6P 13.79 HMDB0001491 1051 18405 C00018 6275 Pyridoxamine 5'-phosphate C8H13N2O5P 14.03 HMDB0001555 1053 18335 C00647 NA (R)-lipoic acid C8H14O2S2 2.89 HMDB0001451 6112 30314 C00725 126 Hexanoylglycine C8H15NO3 3.05 HMDB0000701 99463 64390 5669 N-Alpha-acetyllysine C8H16N2O3 13.65 HMDB0000446 192590 35704 C12989 5435 N-a-Acetyl-L-arginine C8H16N4O3 13.26 HMDB0004620 67427 40521 NA Hydroxyoctanoic acid C8H16O3 2.65 HMDB0000711 94180 86543 5679 Indoxyl sulfate C8H7NO4S 2 HMDB0000682 10258 43355 524 3-Nitrotyrosine C9H10N2O5 11.61 HMDB0001904 65124 44454 6383 2-Phenylpropionate C9H10O2 2.8 HMDB0011743 10296 48526 NA Hydrocinnamic acid C9H10O2 2.8 HMDB0000764 107 28631 C05629 4153 Hydroxyphenyllactic acid C9H10O4 6.19 HMDB0000755 9378 17385 C03672 5723 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 Dihydrobiopterin C9H13N5O3 10.02 HMDB0000038 119055 43029 C02953 5106 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 Uridine triphosphate C9H15N2O15P3 14.05 HMDB0000285 6133 15713 C00075 5277 CDP C9H15N3O11P2 13.98 HMDB0001546 6132 17239 C00112 6313 AICAR C9H15N4O8P NA HMDB0001517 65110 18406 C04677 6294 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 Indole-3-carboxylic acid C9H7NO2 4.4 HMDB0003320 69867 24809 C19837 3795 Cinnamic acid C9H8O2 NA HMDB0000567 5372954 35699 C10438 310 4-Hydroxyphenylpyruvic acid C9H8O4 2.76 HMDB0000707 979 15999 C01179 5675 3-Methylindole C9H9N 3 HMDB0000466 6736 9171 C08313 5453 Carbamoyl phosphate CH4NO5P NA HMDB0001096 278 17672 C00169 6002 Pyrophosphate P2H4O7 NA HMDB0000250 644102 18361 C00013 3306 L-Fucitol C6H14O5 8.7 HMDB0041500 3429 NA NA N-Glycolylneuraminic acid C11H19NO10 13.49 HMDB00833 123802 62084 C03410 3580 CMP-Sialic Acid C20H31N4O16P 13.84 HMDB0001176 448209 16556 C00128 NA 3-Hydroxykynurenine C10H12N2O4 10.32 HMDB0000732 89 1547 C02794 5700 Fucose-1-phosphate C6H13O8P 14.01 HMDB0001265 65369 12387 C02985 6120 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 N-linoleoyl taurine C20H37NO4S 2.09 NA NA NA N-stearoyl taurine C20H41NO4S 2.07 HMDB0240595 168274 132479 NA Methylcitrate C7H10O7 13.85 NA NA NA Arachidoyl glycine (C20:4) C22H43NO3 2.44 NA NA NA Docosahexaenoyl glycine (C22:6) C24H35NO3 2.45 NA NA NA Palmitoyl glycine (C16:0) C18H35NO3 2.48 NA NA NA METABOLITES_END #END