#METABOLOMICS WORKBENCH limsy_metabolomics_20210815_204545 DATATRACK_ID:2801 STUDY_ID:ST001908 ANALYSIS_ID:AN003105 PROJECT_ID:PR001202 VERSION 1 CREATED_ON August 16, 2021, 11:23 pm #PROJECT PR:PROJECT_TITLE Simultaneous metabolite and glycan extraction workflow for joint-omics analysis: PR:PROJECT_TITLE a synergistic approach for novel insights into diseases PR:PROJECT_SUMMARY To synergistically process omics data in an integrative manner, analyte PR:PROJECT_SUMMARY extractions for each omics type need to be done on the same set of clinical PR:PROJECT_SUMMARY samples. Therefore, we introduce a simultaneous dual extraction method for PR:PROJECT_SUMMARY generating both metabolomic and glycomic profiles from one sample with good PR:PROJECT_SUMMARY extraction efficiency and reproducibility. As proof of the usefulness of the PR:PROJECT_SUMMARY extraction and joint-omics workflow, we applied it on platelet samples obtained PR:PROJECT_SUMMARY from a cohort study comprising 66 coronary heart disease (CHD) patients and 34 PR:PROJECT_SUMMARY matched healthy community-dwelling controls. The metabolomics and glycomics PR:PROJECT_SUMMARY datasets were subjected to block partial least square – discriminant analysis PR:PROJECT_SUMMARY (block-PLS-DA) with canonical correlation analysis (CCA) for identifying PR:PROJECT_SUMMARY relevant mechanistic interactions between metabolites and glycans. This PR:PROJECT_SUMMARY joint-omics investigation revealed inter-modulative roles that carbohydrates and PR:PROJECT_SUMMARY amino acids have in metabolic pathways and through intermediate protein PR:PROJECT_SUMMARY dysregulations. It also suggested a protective role of the glyco-redox network PR:PROJECT_SUMMARY in CHD, demonstrating proof-of-principle for a joint-omics analysis in providing PR:PROJECT_SUMMARY new insights into disease mechanisms, as enabled by a simultaneous PR:PROJECT_SUMMARY metabolite-glycan extraction workflow. PR:INSTITUTE National University of Singapore PR:LAST_NAME Lim PR:FIRST_NAME Si Ying PR:ADDRESS Department of Chemistry, National University of Singapore, 3 Science Drive 3, PR:ADDRESS Singapore 117543 PR:EMAIL lim.siying@u.nus.edu PR:PHONE +6592748281 #STUDY ST:STUDY_TITLE Post Acute Myocardial Infarction Left Ventricular Remodeling Bio marker Analysis ST:STUDY_TITLE (PAMILA) ST:STUDY_SUMMARY Patients with acute myocardial infarction (a condition classified under coronary ST:STUDY_SUMMARY heart disease, including STEMI and NSTEMI) are at high risk for recurrent ST:STUDY_SUMMARY ischemic events, but the pathways and factors which contribute to this elevated ST:STUDY_SUMMARY risk are incompletely understood. This study aims to identify biomarkers ST:STUDY_SUMMARY associated with acute myocardial infarction through various omics strategies. ST:STUDY_SUMMARY For the identified biomarkers, we aim to demonstrate prognostic value, and ST:STUDY_SUMMARY predict/stratify the risks of adverse cardiovascular events (e.g., stroke, heart ST:STUDY_SUMMARY failure, death). ST:INSTITUTE National University of Singapore ST:LAST_NAME Lim ST:FIRST_NAME Si Ying ST:ADDRESS Department of Chemistry, National University of Singapore, 3 Science Drive 3, ST:ADDRESS Singapore 117543 ST:EMAIL lim.siying@u.nus.edu ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 100 ST:PHONE +6592748281 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:HUMAN_INCLUSION_CRITERIA a. Clinically diagnosed ST-elevation myocardial infarction (STEMI) • Typical SU:HUMAN_INCLUSION_CRITERIA history of ischemic chest pain or angina equivalent symptoms (acute onset SU:HUMAN_INCLUSION_CRITERIA dyspnea) • ECG changes of at least 2 contiguous leads of ≥2 mm (0.2 mV) in SU:HUMAN_INCLUSION_CRITERIA men or ≥1.5 mm (0.15 mV) in women in leads V2–V3 and/or of ≥1 mm (0.1 mV) SU:HUMAN_INCLUSION_CRITERIA in other contiguous chest leads or the limb leads • Presence of Q waves • SU:HUMAN_INCLUSION_CRITERIA Typical rise and fall of cardiac enzymes (cTn value exceeding the 99th SU:HUMAN_INCLUSION_CRITERIA percentile URL (in ng/L or pg/mL) OR Clinically diagnosed nonST-elevation SU:HUMAN_INCLUSION_CRITERIA myocardial infarction (NSTEMI) • ECG changes of ST-segment depression or SU:HUMAN_INCLUSION_CRITERIA prominent T-wave inversion and/or • positive biomarkers of necrosis (troponin, SU:HUMAN_INCLUSION_CRITERIA CKMB) b. Angiographic findings of >50% occlusion of one or more coronary SU:HUMAN_INCLUSION_CRITERIA arteries c. Age>21 years and <85 years, d. Ability to provide written informed SU:HUMAN_INCLUSION_CRITERIA consent and comply with study protocol requirements. SU:HUMAN_EXCLUSION_CRITERIA a. Patients not able or willing to consent for study b. Severe renal impairment SU:HUMAN_EXCLUSION_CRITERIA (eGFR<15 ml/min/m2) c. Severe liver impairment d. Anaemia < 8 g/dl (men) and 7 SU:HUMAN_EXCLUSION_CRITERIA g/dl (women) e. Cardiogenic shock unable to be weaned off inotropes or IABP f. SU:HUMAN_EXCLUSION_CRITERIA History of significant valvular heart disease (moderate or severe MS, MR, AS, SU:HUMAN_EXCLUSION_CRITERIA AR, TR) g. History of malignancy diagnosed within the last 12 months h. Patients SU:HUMAN_EXCLUSION_CRITERIA who cannot be followed up (non-residents) #FACTORS #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 - C006 Condition:Control | Race:Chinese | Gender:Female | Smoker:Current-smoker Age=58; BMI=24.2; RAW_FILE_NAME=Set3_G_63.wiff; RAW_FILE_NAME=Set3_G_63.wiff.scan SUBJECT_SAMPLE_FACTORS - C007 Condition:Control | Race:Chinese | Gender:Female | Smoker:Current-smoker Age=57; BMI=28.1; RAW_FILE_NAME=Set4_H_77.wiff; RAW_FILE_NAME=Set4_H_77.wiff.scan SUBJECT_SAMPLE_FACTORS - C011 Condition:Control | Race:Chinese | Gender:Female | Smoker:Current-smoker Age=69; BMI=28.7; RAW_FILE_NAME=Set3_F_55.wiff; RAW_FILE_NAME=Set3_F_55.wiff.scan SUBJECT_SAMPLE_FACTORS - C012 Condition:Control | Race:Chinese | Gender:Male | Smoker:Non-smoker Age=49; BMI=30.5; RAW_FILE_NAME=Set4_J_100.wiff; RAW_FILE_NAME=Set4_J_100.wiff.scan SUBJECT_SAMPLE_FACTORS - C014 Condition:Control | Race:Chinese | Gender:Female | Smoker:Current-smoker Age=50; BMI=21.9; RAW_FILE_NAME=Set2_C_25.wiff; RAW_FILE_NAME=Set2_C_25.wiff.scan SUBJECT_SAMPLE_FACTORS - C021 Condition:Control | Race:Chinese | Gender:Female | Smoker:Current-smoker Age=60; BMI=22.9; RAW_FILE_NAME=Set2_D_39.wiff; RAW_FILE_NAME=Set2_D_39.wiff.scan SUBJECT_SAMPLE_FACTORS - C030 Condition:Control | Race:Chinese | Gender:Male | Smoker:Current-smoker Age=55; BMI=21.8; RAW_FILE_NAME=Set4_H_78.wiff; RAW_FILE_NAME=Set4_H_78.wiff.scan SUBJECT_SAMPLE_FACTORS - C034 Condition:Control | Race:Chinese | Gender:Female | Smoker:Current-smoker Age=61; BMI=25.5; RAW_FILE_NAME=Set3_H_72.wiff; RAW_FILE_NAME=Set3_H_72.wiff.scan SUBJECT_SAMPLE_FACTORS - C038 Condition:Control | Race:Chinese | Gender:Female | Smoker:Current-smoker Age=45; BMI=27.8; RAW_FILE_NAME=Set3_H_73.wiff; RAW_FILE_NAME=Set3_H_73.wiff.scan SUBJECT_SAMPLE_FACTORS - C040 Condition:Control | Race:Chinese | Gender:Female | Smoker:Current-smoker Age=57; BMI=22.3; RAW_FILE_NAME=Set3_G_68.wiff; RAW_FILE_NAME=Set3_G_68.wiff.scan SUBJECT_SAMPLE_FACTORS - C047 Condition:Control | Race:Chinese | Gender:Male | Smoker:Current-smoker Age=46; BMI=25.4; RAW_FILE_NAME=Set1_B_11.wiff; RAW_FILE_NAME=Set1_B_11.wiff.scan SUBJECT_SAMPLE_FACTORS - C048 Condition:Control | Race:Chinese | Gender:Female | Smoker:Current-smoker Age=52; BMI=25; RAW_FILE_NAME=Set2_D_40.wiff; RAW_FILE_NAME=Set2_D_40.wiff.scan SUBJECT_SAMPLE_FACTORS - C049 Condition:Control | Race:Chinese | Gender:Male | Smoker:Current-smoker Age=57; BMI=28.2; RAW_FILE_NAME=Set1_B_17.wiff; RAW_FILE_NAME=Set1_B_17.wiff.scan SUBJECT_SAMPLE_FACTORS - C050 Condition:Control | Race:Chinese | Gender:Male | Smoker:Current-smoker Age=75; BMI=32.8; RAW_FILE_NAME=Set1_A_4.wiff; RAW_FILE_NAME=Set1_A_4.wiff.scan SUBJECT_SAMPLE_FACTORS - C052 Condition:Control | Race:Chinese | Gender:Female | Smoker:Current-smoker Age=40; BMI=25.2; RAW_FILE_NAME=Set3_F_54.wiff; RAW_FILE_NAME=Set3_F_54.wiff.scan SUBJECT_SAMPLE_FACTORS - C053 Condition:Control | Race:Chinese | Gender:Female | Smoker:Current-smoker Age=70; BMI=26.7; RAW_FILE_NAME=Set2_D_38.wiff; RAW_FILE_NAME=Set2_D_38.wiff.scan SUBJECT_SAMPLE_FACTORS - C060 Condition:Control | Race:Chinese | Gender:Female | Smoker:Current-smoker Age=69; BMI=21.1; RAW_FILE_NAME=Set4_J_98.wiff; RAW_FILE_NAME=Set4_J_98.wiff.scan SUBJECT_SAMPLE_FACTORS - C061 Condition:Control | Race:Chinese | Gender:Female | Smoker:Current-smoker Age=52; BMI=19.4; RAW_FILE_NAME=Set1_A_8.wiff; RAW_FILE_NAME=Set1_A_8.wiff.scan SUBJECT_SAMPLE_FACTORS - C070 Condition:Control | Race:Chinese | Gender:Male | Smoker:Current-smoker Age=67; BMI=23.6; RAW_FILE_NAME=Set1_A_3.wiff; RAW_FILE_NAME=Set1_A_3.wiff.scan SUBJECT_SAMPLE_FACTORS - C071 Condition:Control | Race:Chinese | Gender:Male | Smoker:Current-smoker Age=68; BMI=24.2; RAW_FILE_NAME=Set4_I_86.wiff; RAW_FILE_NAME=Set4_I_86.wiff.scan SUBJECT_SAMPLE_FACTORS - C073 Condition:Control | Race:Chinese | Gender:Male | Smoker:Current-smoker Age=66; BMI=30.4; RAW_FILE_NAME=Set1_B_14.wiff; RAW_FILE_NAME=Set1_B_14.wiff.scan SUBJECT_SAMPLE_FACTORS - C074 Condition:Control | Race:Chinese | Gender:Female | Smoker:Current-smoker Age=63; BMI=16.9; RAW_FILE_NAME=Set4_H_79.wiff; RAW_FILE_NAME=Set4_H_79.wiff.scan SUBJECT_SAMPLE_FACTORS - C076 Condition:Control | Race:Chinese | Gender:Female | Smoker:Current-smoker Age=50; BMI=23.1; RAW_FILE_NAME=Set1_B_18.wiff; RAW_FILE_NAME=Set1_B_18.wiff.scan SUBJECT_SAMPLE_FACTORS - C078 Condition:Control | Race:Chinese | Gender:Female | Smoker:Current-smoker Age=55; BMI=19; RAW_FILE_NAME=Set3_F_58.wiff; RAW_FILE_NAME=Set3_F_58.wiff.scan SUBJECT_SAMPLE_FACTORS - C080 Condition:Control | Race:Chinese | Gender:Male | Smoker:Current-smoker Age=66; BMI=27.6; RAW_FILE_NAME=Set3_G_62.wiff; RAW_FILE_NAME=Set3_G_62.wiff.scan SUBJECT_SAMPLE_FACTORS - I006 Condition:Control | Race:Indian | Gender:Female | Smoker:Current-smoker Age=61; BMI=23.2; RAW_FILE_NAME=Set4_H_76.wiff; RAW_FILE_NAME=Set4_H_76.wiff.scan SUBJECT_SAMPLE_FACTORS - I011 Condition:Control | Race:Indian | Gender:Female | Smoker:Current-smoker Age=48; BMI=26.9; RAW_FILE_NAME=Set2_E_45.wiff; RAW_FILE_NAME=Set2_E_45.wiff.scan SUBJECT_SAMPLE_FACTORS - I014 Condition:Control | Race:Indian | Gender:Female | Smoker:Current-smoker Age=51; BMI=29.3; RAW_FILE_NAME=Set2_E_50.wiff; RAW_FILE_NAME=Set2_E_50.wiff.scan SUBJECT_SAMPLE_FACTORS - I022 Condition:Control | Race:Indian | Gender:Male | Smoker:Former-smoker Age=45; BMI=30.6; RAW_FILE_NAME=Set2_D_33.wiff; RAW_FILE_NAME=Set2_D_33.wiff.scan SUBJECT_SAMPLE_FACTORS - I025 Condition:Control | Race:Indian | Gender:Male | Smoker:Current-smoker Age=44; BMI=22.1; RAW_FILE_NAME=Set1_A_5.wiff; RAW_FILE_NAME=Set1_A_5.wiff.scan SUBJECT_SAMPLE_FACTORS - M001 Condition:Control | Race:Malay | Gender:Male | Smoker:Current-smoker Age=46; BMI=30.6; RAW_FILE_NAME=Set1_A_2.wiff; RAW_FILE_NAME=Set1_A_2.wiff.scan SUBJECT_SAMPLE_FACTORS - M002 Condition:Control | Race:Malay | Gender:Male | Smoker:Current-smoker Age=52; BMI=22.6; RAW_FILE_NAME=Set3_F_53.wiff; RAW_FILE_NAME=Set3_F_53.wiff.scan SUBJECT_SAMPLE_FACTORS - M003 Condition:Control | Race:Malay | Gender:Female | Smoker:Current-smoker Age=54; BMI=19.5; RAW_FILE_NAME=Set2_E_47.wiff; RAW_FILE_NAME=Set2_E_47.wiff.scan SUBJECT_SAMPLE_FACTORS - M005 Condition:Control | Race:Malay | Gender:Female | Smoker:Current-smoker Age=58; BMI=25.3; RAW_FILE_NAME=Set2_C_28.wiff; RAW_FILE_NAME=Set2_C_28.wiff.scan SUBJECT_SAMPLE_FACTORS - N008 Condition:AMI | Race:Chinese | Gender:Male | Smoker:Non-smoker Age=58; BMI=21.37; RAW_FILE_NAME=Set2_D_36.wiff; RAW_FILE_NAME=Set2_D_36.wiff.scan SUBJECT_SAMPLE_FACTORS - N009 Condition:AMI | Race:Chinese | Gender:Male | Smoker:Non-smoker Age=62; BMI=23.21; RAW_FILE_NAME=Set4_I_87.wiff; RAW_FILE_NAME=Set4_I_87.wiff.scan SUBJECT_SAMPLE_FACTORS - N011 Condition:AMI | Race:Chinese | Gender:Male | Smoker:Current-smoker Age=56; BMI=19.93; RAW_FILE_NAME=Set4_J_92.wiff; RAW_FILE_NAME=Set4_J_92.wiff.scan SUBJECT_SAMPLE_FACTORS - N026 Condition:AMI | Race:Malay | Gender:Male | Smoker:Non-smoker Age=49; BMI=25.2; RAW_FILE_NAME=Set4_I_83.wiff; RAW_FILE_NAME=Set4_I_83.wiff.scan SUBJECT_SAMPLE_FACTORS - N052 Condition:AMI | Race:Chinese | Gender:Male | Smoker:Non-smoker Age=51; BMI=25.43; RAW_FILE_NAME=Set3_F_59.wiff; RAW_FILE_NAME=Set3_F_59.wiff.scan SUBJECT_SAMPLE_FACTORS - N057 Condition:AMI | Race:Malay | Gender:Male | Smoker:Non-smoker Age=57; BMI=22.89; RAW_FILE_NAME=Set2_C_26.wiff; RAW_FILE_NAME=Set2_C_26.wiff.scan SUBJECT_SAMPLE_FACTORS - N058 Condition:AMI | Race:Chinese | Gender:Male | Smoker:Non-smoker Age=54; BMI=29.94; RAW_FILE_NAME=Set1_B_19.wiff; RAW_FILE_NAME=Set1_B_19.wiff.scan SUBJECT_SAMPLE_FACTORS - N059 Condition:AMI | Race:Chinese | Gender:Male | Smoker:Former-smoker Age=60; BMI=19.94; RAW_FILE_NAME=Set4_J_93.wiff; RAW_FILE_NAME=Set4_J_93.wiff.scan SUBJECT_SAMPLE_FACTORS - N060 Condition:AMI | Race:Chinese | Gender:Male | Smoker:Current-smoker Age=57; BMI=30.8; RAW_FILE_NAME=Set2_C_29.wiff; RAW_FILE_NAME=Set2_C_29.wiff.scan SUBJECT_SAMPLE_FACTORS - N064 Condition:AMI | Race:Indian | Gender:Male | Smoker:Non-smoker Age=49; BMI=22.56; RAW_FILE_NAME=Set4_J_95.wiff; RAW_FILE_NAME=Set4_J_95.wiff.scan SUBJECT_SAMPLE_FACTORS - N068 Condition:AMI | Race:Chinese | Gender:Male | Smoker:Former-smoker Age=51; BMI=26.72; RAW_FILE_NAME=Set1_A_10.wiff; RAW_FILE_NAME=Set1_A_10.wiff.scan SUBJECT_SAMPLE_FACTORS - N074 Condition:AMI | Race:Indian | Gender:Male | Smoker:Current-smoker Age=60; BMI=24.71; RAW_FILE_NAME=Set3_F_57.wiff; RAW_FILE_NAME=Set3_F_57.wiff.scan SUBJECT_SAMPLE_FACTORS - N077 Condition:AMI | Race:Chinese | Gender:Male | Smoker:Current-smoker Age=66; BMI=21.91; RAW_FILE_NAME=Set1_B_20.wiff; RAW_FILE_NAME=Set1_B_20.wiff.scan SUBJECT_SAMPLE_FACTORS - N078 Condition:AMI | Race:Malay | Gender:Male | Smoker:Non-smoker Age=57; BMI=24.43; RAW_FILE_NAME=Set1_C_24.wiff; RAW_FILE_NAME=Set1_C_24.wiff.scan SUBJECT_SAMPLE_FACTORS - N081 Condition:AMI | Race:Chinese | Gender:Male | Smoker:Non-smoker Age=55; BMI=24.16; RAW_FILE_NAME=Set4_I_82.wiff; RAW_FILE_NAME=Set4_I_82.wiff.scan SUBJECT_SAMPLE_FACTORS - N082 Condition:AMI | Race:Indian | Gender:Male | Smoker:Non-smoker Age=55; BMI=26.4; RAW_FILE_NAME=Set2_E_48.wiff; RAW_FILE_NAME=Set2_E_48.wiff.scan SUBJECT_SAMPLE_FACTORS - N090 Condition:AMI | Race:Chinese | Gender:Male | Smoker:Current-smoker Age=48; BMI=25.99; RAW_FILE_NAME=Set1_B_15.wiff; RAW_FILE_NAME=Set1_B_15.wiff.scan SUBJECT_SAMPLE_FACTORS - N092 Condition:AMI | Race:Indian | Gender:Male | Smoker:Former-smoker Age=38; BMI=32.63; RAW_FILE_NAME=Set4_I_84.wiff; RAW_FILE_NAME=Set4_I_84.wiff.scan SUBJECT_SAMPLE_FACTORS - N093 Condition:AMI | Race:Chinese | Gender:Female | Smoker:Non-smoker Age=44; BMI=31.61; RAW_FILE_NAME=Set4_I_85.wiff; RAW_FILE_NAME=Set4_I_85.wiff.scan SUBJECT_SAMPLE_FACTORS - N102 Condition:AMI | Race:Malay | Gender:Male | Smoker:Non-smoker Age=56; BMI=22.84; RAW_FILE_NAME=Set1_C_23.wiff; RAW_FILE_NAME=Set1_C_23.wiff.scan SUBJECT_SAMPLE_FACTORS - N107 Condition:AMI | Race:Chinese | Gender:Male | Smoker:Non-smoker Age=58; BMI=26.56; RAW_FILE_NAME=Set1_B_12.wiff; RAW_FILE_NAME=Set1_B_12.wiff.scan SUBJECT_SAMPLE_FACTORS - N108 Condition:AMI | Race:Indian | Gender:Male | Smoker:Current-smoker Age=51; BMI=26.62; RAW_FILE_NAME=Set2_E_46.wiff; RAW_FILE_NAME=Set2_E_46.wiff.scan SUBJECT_SAMPLE_FACTORS - N112 Condition:AMI | Race:Malay | Gender:Male | Smoker:Former-smoker Age=57; BMI=21.76; RAW_FILE_NAME=Set3_H_71.wiff; RAW_FILE_NAME=Set3_H_71.wiff.scan SUBJECT_SAMPLE_FACTORS - N116 Condition:AMI | Race:Chinese | Gender:Male | Smoker:Current-smoker Age=36; BMI=25.95; RAW_FILE_NAME=Set2_C_27.wiff; RAW_FILE_NAME=Set2_C_27.wiff.scan SUBJECT_SAMPLE_FACTORS - N118 Condition:AMI | Race:Chinese | Gender:Male | Smoker:Former-smoker Age=61; BMI=17.97; RAW_FILE_NAME=Set3_G_65.wiff; RAW_FILE_NAME=Set3_G_65.wiff.scan SUBJECT_SAMPLE_FACTORS - N119 Condition:AMI | Race:Malay | Gender:Male | Smoker:Non-smoker Age=69; BMI=26.35; RAW_FILE_NAME=Set4_I_90.wiff; RAW_FILE_NAME=Set4_I_90.wiff.scan SUBJECT_SAMPLE_FACTORS - N122 Condition:AMI | Race:Indian | Gender:Male | Smoker:Non-smoker Age=46; BMI=27.55; RAW_FILE_NAME=Set1_A_7.wiff; RAW_FILE_NAME=Set1_A_7.wiff.scan SUBJECT_SAMPLE_FACTORS - N124 Condition:AMI | Race:Chinese | Gender:Male | Smoker:Current-smoker Age=67; BMI=26.3; RAW_FILE_NAME=Set4_J_94.wiff; RAW_FILE_NAME=Set4_J_94.wiff.scan SUBJECT_SAMPLE_FACTORS - N128 Condition:AMI | Race:Chinese | Gender:Male | Smoker:Former-smoker Age=67; BMI=24.11; RAW_FILE_NAME=Set2_D_31.wiff; RAW_FILE_NAME=Set2_D_31.wiff.scan SUBJECT_SAMPLE_FACTORS - N130 Condition:AMI | Race:Malay | Gender:Male | Smoker:Non-smoker Age=60; BMI=30.48; RAW_FILE_NAME=Set3_F_51.wiff; RAW_FILE_NAME=Set3_F_51.wiff.scan SUBJECT_SAMPLE_FACTORS - N131 Condition:AMI | Race:Chinese | Gender:Male | Smoker:Non-smoker Age=46; BMI=22.49; RAW_FILE_NAME=Set2_E_42.wiff; RAW_FILE_NAME=Set2_E_42.wiff.scan SUBJECT_SAMPLE_FACTORS - N302 Condition:AMI | Race:Chinese | Gender:Male | Smoker:Non-smoker Age=72; BMI=18.31; RAW_FILE_NAME=Set2_E_49.wiff; RAW_FILE_NAME=Set2_E_49.wiff.scan SUBJECT_SAMPLE_FACTORS - N304 Condition:AMI | Race:Chinese | Gender:Male | Smoker:Former-smoker Age=73; BMI=29.63; RAW_FILE_NAME=Set2_D_34.wiff; RAW_FILE_NAME=Set2_D_34.wiff.scan SUBJECT_SAMPLE_FACTORS - N305 Condition:AMI | Race:Chinese | Gender:Male | Smoker:Non-smoker Age=44; BMI=26.81; RAW_FILE_NAME=Set4_I_81.wiff; RAW_FILE_NAME=Set4_I_81.wiff.scan SUBJECT_SAMPLE_FACTORS - N308 Condition:AMI | Race:Chinese | Gender:Male | Smoker:Current-smoker Age=55; BMI=26.12; RAW_FILE_NAME=Set3_H_74.wiff; RAW_FILE_NAME=Set3_H_74.wiff.scan SUBJECT_SAMPLE_FACTORS - N310 Condition:AMI | Race:Chinese | Gender:Male | Smoker:Non-smoker Age=54; BMI=20.42; RAW_FILE_NAME=Set4_J_91.wiff; RAW_FILE_NAME=Set4_J_91.wiff.scan SUBJECT_SAMPLE_FACTORS - N312 Condition:AMI | Race:Chinese | Gender:Male | Smoker:Current-smoker Age=57; BMI=24.22; RAW_FILE_NAME=Set1_A_9.wiff; RAW_FILE_NAME=Set1_A_9.wiff.scan SUBJECT_SAMPLE_FACTORS - N315 Condition:AMI | Race:Chinese | Gender:Male | Smoker:Current-smoker Age=64; BMI=26.52; RAW_FILE_NAME=Set3_G_61.wiff; RAW_FILE_NAME=Set3_G_61.wiff.scan SUBJECT_SAMPLE_FACTORS - N316 Condition:AMI | Race:Chinese | Gender:Male | Smoker:Non-smoker Age=55; BMI=30.42; RAW_FILE_NAME=Set2_E_41.wiff; RAW_FILE_NAME=Set2_E_41.wiff.scan SUBJECT_SAMPLE_FACTORS - N317 Condition:AMI | Race:Malay | Gender:Male | Smoker:Non-smoker Age=50; BMI=23.98; RAW_FILE_NAME=Set1_B_16.wiff; RAW_FILE_NAME=Set1_B_16.wiff.scan SUBJECT_SAMPLE_FACTORS - N319 Condition:AMI | Race:Chinese | Gender:Female | Smoker:Current-smoker Age=70; BMI=22.89; RAW_FILE_NAME=Set3_F_56.wiff; RAW_FILE_NAME=Set3_F_56.wiff.scan SUBJECT_SAMPLE_FACTORS - P332 Condition:AMI | Race:Malay | Gender:Male | Smoker:Non-smoker Age=55; BMI=23.88; RAW_FILE_NAME=Set1_C_22.wiff; RAW_FILE_NAME=Set1_C_22.wiff.scan SUBJECT_SAMPLE_FACTORS - P334 Condition:AMI | Race:Malay | Gender:Male | Smoker:Non-smoker Age=68; BMI=23.18; RAW_FILE_NAME=Set3_F_52.wiff; RAW_FILE_NAME=Set3_F_52.wiff.scan SUBJECT_SAMPLE_FACTORS - P335 Condition:AMI | Race:Chinese | Gender:Male | Smoker:Current-smoker Age=65; BMI=25.71; RAW_FILE_NAME=Set1_B_13.wiff; RAW_FILE_NAME=Set1_B_13.wiff.scan SUBJECT_SAMPLE_FACTORS - P337 Condition:AMI | Race:Malay | Gender:Male | Smoker:Non-smoker Age=41; BMI=28.56; RAW_FILE_NAME=Set4_J_96.wiff; RAW_FILE_NAME=Set4_J_96.wiff.scan SUBJECT_SAMPLE_FACTORS - P338 Condition:AMI | Race:Indian | Gender:Male | Smoker:Non-smoker Age=47; BMI=24.87; RAW_FILE_NAME=Set3_G_66.wiff; RAW_FILE_NAME=Set3_G_66.wiff.scan SUBJECT_SAMPLE_FACTORS - P339 Condition:AMI | Race:Malay | Gender:Male | Smoker:Non-smoker Age=78; BMI=23.42; RAW_FILE_NAME=Set3_G_69.wiff; RAW_FILE_NAME=Set3_G_69.wiff.scan SUBJECT_SAMPLE_FACTORS - P340 Condition:AMI | Race:Chinese | Gender:Male | Smoker:Former-smoker Age=67; BMI=20.08; RAW_FILE_NAME=Set4_J_97.wiff; RAW_FILE_NAME=Set4_J_97.wiff.scan SUBJECT_SAMPLE_FACTORS - P341 Condition:AMI | Race:Malay | Gender:Male | Smoker:Former-smoker Age=58; BMI=25.91; RAW_FILE_NAME=Set1_C_21.wiff; RAW_FILE_NAME=Set1_C_21.wiff.scan SUBJECT_SAMPLE_FACTORS - P353 Condition:AMI | Race:Indian | Gender:Male | Smoker:Non-smoker Age=46; BMI=21.08; RAW_FILE_NAME=Set2_E_43.wiff; RAW_FILE_NAME=Set2_E_43.wiff.scan SUBJECT_SAMPLE_FACTORS - P355 Condition:AMI | Race:Chinese | Gender:Male | Smoker:Current-smoker Age=46; BMI=24.79; RAW_FILE_NAME=Set2_D_35.wiff; RAW_FILE_NAME=Set2_D_35.wiff.scan SUBJECT_SAMPLE_FACTORS - P363 Condition:AMI | Race:Chinese | Gender:Female | Smoker:Current-smoker Age=49; BMI=26.64; RAW_FILE_NAME=Set2_D_37.wiff; RAW_FILE_NAME=Set2_D_37.wiff.scan SUBJECT_SAMPLE_FACTORS - P364 Condition:AMI | Race:Malay | Gender:Male | Smoker:Non-smoker Age=43; BMI=37.19; RAW_FILE_NAME=Set4_J_99.wiff; RAW_FILE_NAME=Set4_J_99.wiff.scan SUBJECT_SAMPLE_FACTORS - P369 Condition:AMI | Race:Malay | Gender:Male | Smoker:Non-smoker Age=49; BMI=34.54; RAW_FILE_NAME=Set2_E_44.wiff; RAW_FILE_NAME=Set2_E_44.wiff.scan SUBJECT_SAMPLE_FACTORS - T010 Condition:AMI | Race:Chinese | Gender:Female | Smoker:Current-smoker Age=63; BMI=27.94; RAW_FILE_NAME=Set4_I_89.wiff; RAW_FILE_NAME=Set4_I_89.wiff.scan SUBJECT_SAMPLE_FACTORS - T013 Condition:AMI | Race:Chinese | Gender:Male | Smoker:Non-smoker Age=57; BMI=24.54; RAW_FILE_NAME=Set1_A_1.wiff; RAW_FILE_NAME=Set1_A_1.wiff.scan SUBJECT_SAMPLE_FACTORS - T017 Condition:AMI | Race:Chinese | Gender:Male | Smoker:Current-smoker Age=64; BMI=21.45; RAW_FILE_NAME=Set3_G_64.wiff; RAW_FILE_NAME=Set3_G_64.wiff.scan SUBJECT_SAMPLE_FACTORS - T023 Condition:AMI | Race:Chinese | Gender:Male | Smoker:Non-smoker Age=52; BMI=22.49; RAW_FILE_NAME=Set3_G_67.wiff; RAW_FILE_NAME=Set3_G_67.wiff.scan SUBJECT_SAMPLE_FACTORS - T030 Condition:AMI | Race:Malay | Gender:Male | Smoker:Non-smoker Age=56; BMI=25.71; RAW_FILE_NAME=Set2_C_30.wiff; RAW_FILE_NAME=Set2_C_30.wiff.scan SUBJECT_SAMPLE_FACTORS - T033 Condition:AMI | Race:Indian | Gender:Male | Smoker:Current-smoker Age=50; BMI=26.06; RAW_FILE_NAME=Set3_F_60.wiff; RAW_FILE_NAME=Set3_F_60.wiff.scan SUBJECT_SAMPLE_FACTORS - T034 Condition:AMI | Race:Chinese | Gender:Male | Smoker:Non-smoker Age=64; BMI=19.27; RAW_FILE_NAME=Set2_D_32.wiff; RAW_FILE_NAME=Set2_D_32.wiff.scan SUBJECT_SAMPLE_FACTORS - T036 Condition:AMI | Race:Indian | Gender:Male | Smoker:Current-smoker Age=67; BMI=23.99; RAW_FILE_NAME=Set1_A_6.wiff; RAW_FILE_NAME=Set1_A_6.wiff.scan SUBJECT_SAMPLE_FACTORS - T041 Condition:AMI | Race:Chinese | Gender:Male | Smoker:Former-smoker Age=55; BMI=26.45; RAW_FILE_NAME=Set4_H_80.wiff; RAW_FILE_NAME=Set4_H_80.wiff.scan SUBJECT_SAMPLE_FACTORS - T043 Condition:AMI | Race:Malay | Gender:Male | Smoker:Current-smoker Age=56; BMI=24.77; RAW_FILE_NAME=Set4_I_88.wiff; RAW_FILE_NAME=Set4_I_88.wiff.scan SUBJECT_SAMPLE_FACTORS - T044 Condition:AMI | Race:Indian | Gender:Male | Smoker:Current-smoker Age=47; BMI=25.25; RAW_FILE_NAME=Set3_H_75.wiff; RAW_FILE_NAME=Set3_H_75.wiff.scan SUBJECT_SAMPLE_FACTORS - T067 Condition:AMI | Race:Chinese | Gender:Male | Smoker:Current-smoker Age=41; BMI=30.35; RAW_FILE_NAME=Set3_G_70.wiff; RAW_FILE_NAME=Set3_G_70.wiff.scan #COLLECTION CO:COLLECTION_SUMMARY 1. Collect blood into 2.7 ml citrated vacutainers. 2. Add Theophylline, CO:COLLECTION_SUMMARY adenosine and dipyridamole (TAD) solution into the citrated blood to final CO:COLLECTION_SUMMARY concentrations of 1.5mM, 0.37mM and 0.0198mM respectively. Mix gently by CO:COLLECTION_SUMMARY inverting for 4-6 times. 3. Centrifuge at 150g for 10min, RT 4. Collect PRP CO:COLLECTION_SUMMARY (leaving approx. 5mm) into a 5 ml polypropylene tube 5. Centrifuge again at 150g CO:COLLECTION_SUMMARY for 10min, RT 6. Collect PRP (leaving approx. 5mm) into the same tube from step CO:COLLECTION_SUMMARY 4 7. Add apyrase (final concentration: 0.04 U/mL) and 1 vol of 2.5X TAD-PBS 8. CO:COLLECTION_SUMMARY Mix gently by inverting tubes 5 times 9. Centrifuge diluted PRP at 100g for 10 CO:COLLECTION_SUMMARY min at RT 10. Transfer supernatant into a new 5 ml polypropylene tube 11. CO:COLLECTION_SUMMARY Centrifuge supernatant at 1000g for 10 min 12. Discard supernatant 13. Add 1.5mL CO:COLLECTION_SUMMARY of 2.5X TAD/PWD (1.5mM theophylline, 0.37mM adenosine and 0.0198mM dipyridamole CO:COLLECTION_SUMMARY in 140mM NaCl, 10mM NaHCO3, 2.5mM KCl, 0.5mM Na2HPO4, 1mM MgCl2, 6.46mM CO:COLLECTION_SUMMARY Na3C6H5O7 and 0.1% glucose, pH 6.5) containing apyrase (0.04 U/mL). 14. Gently CO:COLLECTION_SUMMARY resuspend and centrifuge at 1000g for 9 min using the tabletop Eppendorf CO:COLLECTION_SUMMARY centrifuge 15. Discard supernatant 16. Either keep the platelet pellet -80oC CO:COLLECTION_SUMMARY until analysis or resuspended in tyrode’s (134 mM NaCl, 12 mM NaHCO3, 2.9 mM CO:COLLECTION_SUMMARY KCl, 0.34 mM Na2HPO4, 1.0 mM MgCl2, 10 mM HEPES and 5 mM glucose, pH 7.4) CO:COLLECTION_SUMMARY buffers for flow cytometry analysis. CO:SAMPLE_TYPE Platelets CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY No treatment/intervention was done to the patients prior to sample collection TR:TREATMENT_SUMMARY for this project. Platelet samples were obtained from healthy volunteers and TR:TREATMENT_SUMMARY patients with coronary heart disease. Medication was given after diagnosis, but TR:TREATMENT_SUMMARY they are not included as variables in this project. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Simultaneous extraction of metabolites and glycans. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Dionex Ultimate 3000 CH:COLUMN_NAME Waters XBridge Amide (100 x 2.1 mm, 3.5 um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME ABI Sciex 5500 QTrap MS:INSTRUMENT_TYPE new MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Both Positive and negative modes were used #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS a.u. MS_METABOLITE_DATA_START Samples C006 C007 C011 C012 C014 C021 C030 C034 C038 C040 C047 C048 C049 C050 C052 C053 C060 C061 C070 C071 C073 C074 C076 C078 C080 I006 I011 I014 I022 I025 M001 M002 M003 M005 N008 N009 N011 N026 N052 N057 N058 N059 N060 N064 N068 N074 N077 N078 N081 N082 N090 N092 N093 N102 N107 N108 N112 N116 N118 N119 N122 N124 N128 N130 N131 N302 N304 N305 N308 N310 N312 N315 N316 N317 N319 P332 P334 P335 P337 P338 P339 P340 P341 P353 P355 P363 P364 P369 T010 T017 T023 T030 T033 T034 T036 T041 T043 T044 T067 Factors Condition:Control | Race:Chinese | Gender:Female | Smoker:Current-smoker Condition:Control | Race:Chinese | Gender:Female | Smoker:Current-smoker Condition:Control | Race:Chinese | Gender:Female | Smoker:Current-smoker Condition:Control | Race:Chinese | Gender:Male | Smoker:Non-smoker Condition:Control | Race:Chinese | Gender:Female | Smoker:Current-smoker Condition:Control | Race:Chinese | Gender:Female | Smoker:Current-smoker Condition:Control | Race:Chinese | Gender:Male | Smoker:Current-smoker Condition:Control | Race:Chinese | Gender:Female | Smoker:Current-smoker Condition:Control | Race:Chinese | Gender:Female | Smoker:Current-smoker Condition:Control | Race:Chinese | Gender:Female | Smoker:Current-smoker Condition:Control | Race:Chinese | Gender:Male | Smoker:Current-smoker Condition:Control | Race:Chinese | Gender:Female | Smoker:Current-smoker Condition:Control | Race:Chinese | Gender:Male | Smoker:Current-smoker Condition:Control | Race:Chinese | Gender:Male | Smoker:Current-smoker Condition:Control | Race:Chinese | Gender:Female | Smoker:Current-smoker Condition:Control | Race:Chinese | Gender:Female | Smoker:Current-smoker Condition:Control | Race:Chinese | Gender:Female | Smoker:Current-smoker Condition:Control | Race:Chinese | Gender:Female | Smoker:Current-smoker Condition:Control | Race:Chinese | Gender:Male | Smoker:Current-smoker Condition:Control | Race:Chinese | Gender:Male | Smoker:Current-smoker Condition:Control | Race:Chinese | Gender:Male | Smoker:Current-smoker Condition:Control | Race:Chinese | Gender:Female | Smoker:Current-smoker Condition:Control | Race:Chinese | Gender:Female | Smoker:Current-smoker Condition:Control | Race:Chinese | Gender:Female | Smoker:Current-smoker Condition:Control | Race:Chinese | Gender:Male | Smoker:Current-smoker Condition:Control | Race:Indian | Gender:Female | Smoker:Current-smoker Condition:Control | Race:Indian | Gender:Female | Smoker:Current-smoker Condition:Control | Race:Indian | Gender:Female | Smoker:Current-smoker Condition:Control | Race:Indian | Gender:Male | Smoker:Former-smoker Condition:Control | Race:Indian | Gender:Male | Smoker:Current-smoker Condition:Control | Race:Malay | Gender:Male | Smoker:Current-smoker Condition:Control | Race:Malay | Gender:Male | Smoker:Current-smoker Condition:Control | Race:Malay | Gender:Female | Smoker:Current-smoker Condition:Control | Race:Malay | Gender:Female | Smoker:Current-smoker Condition:AMI | Race:Chinese | Gender:Male | Smoker:Non-smoker Condition:AMI | Race:Chinese | Gender:Male | Smoker:Non-smoker Condition:AMI | Race:Chinese | Gender:Male | Smoker:Current-smoker Condition:AMI | Race:Malay | Gender:Male | Smoker:Non-smoker Condition:AMI | Race:Chinese | Gender:Male | Smoker:Non-smoker Condition:AMI | Race:Malay | Gender:Male | Smoker:Non-smoker Condition:AMI | Race:Chinese | Gender:Male | Smoker:Non-smoker Condition:AMI | Race:Chinese | Gender:Male | Smoker:Former-smoker Condition:AMI | Race:Chinese | Gender:Male | Smoker:Current-smoker Condition:AMI | Race:Indian | Gender:Male | Smoker:Non-smoker Condition:AMI | Race:Chinese | Gender:Male | Smoker:Former-smoker Condition:AMI | Race:Indian | Gender:Male | Smoker:Current-smoker Condition:AMI | Race:Chinese | Gender:Male | Smoker:Current-smoker Condition:AMI | Race:Malay | Gender:Male | Smoker:Non-smoker Condition:AMI | Race:Chinese | Gender:Male | Smoker:Non-smoker Condition:AMI | Race:Indian | Gender:Male | Smoker:Non-smoker Condition:AMI | Race:Chinese | Gender:Male | Smoker:Current-smoker Condition:AMI | Race:Indian | Gender:Male | Smoker:Former-smoker Condition:AMI | Race:Chinese | Gender:Female | Smoker:Non-smoker Condition:AMI | Race:Malay | Gender:Male | Smoker:Non-smoker Condition:AMI | Race:Chinese | Gender:Male | Smoker:Non-smoker Condition:AMI | Race:Indian | Gender:Male | Smoker:Current-smoker Condition:AMI | Race:Malay | Gender:Male | Smoker:Former-smoker Condition:AMI | Race:Chinese | Gender:Male | Smoker:Current-smoker Condition:AMI | Race:Chinese | Gender:Male | Smoker:Former-smoker Condition:AMI | Race:Malay | Gender:Male | Smoker:Non-smoker Condition:AMI | Race:Indian | Gender:Male | Smoker:Non-smoker Condition:AMI | Race:Chinese | Gender:Male | Smoker:Current-smoker Condition:AMI | Race:Chinese | Gender:Male | Smoker:Former-smoker Condition:AMI | Race:Malay | Gender:Male | Smoker:Non-smoker Condition:AMI | Race:Chinese | Gender:Male | Smoker:Non-smoker Condition:AMI | Race:Chinese | Gender:Male | Smoker:Non-smoker Condition:AMI | Race:Chinese | Gender:Male | Smoker:Former-smoker Condition:AMI | Race:Chinese | Gender:Male | Smoker:Non-smoker Condition:AMI | Race:Chinese | Gender:Male | Smoker:Current-smoker Condition:AMI | Race:Chinese | Gender:Male | Smoker:Non-smoker Condition:AMI | Race:Chinese | Gender:Male | Smoker:Current-smoker Condition:AMI | Race:Chinese | Gender:Male | Smoker:Current-smoker Condition:AMI | Race:Chinese | Gender:Male | Smoker:Non-smoker Condition:AMI | Race:Malay | Gender:Male | Smoker:Non-smoker Condition:AMI | Race:Chinese | Gender:Female | Smoker:Current-smoker Condition:AMI | Race:Malay | Gender:Male | Smoker:Non-smoker Condition:AMI | Race:Malay | Gender:Male | Smoker:Non-smoker Condition:AMI | Race:Chinese | Gender:Male | Smoker:Current-smoker Condition:AMI | Race:Malay | Gender:Male | Smoker:Non-smoker Condition:AMI | Race:Indian | Gender:Male | Smoker:Non-smoker Condition:AMI | Race:Malay | Gender:Male | Smoker:Non-smoker Condition:AMI | Race:Chinese | Gender:Male | Smoker:Former-smoker Condition:AMI | Race:Malay | Gender:Male | Smoker:Former-smoker Condition:AMI | Race:Indian | Gender:Male | Smoker:Non-smoker Condition:AMI | Race:Chinese | Gender:Male | Smoker:Current-smoker Condition:AMI | Race:Chinese | Gender:Female | Smoker:Current-smoker Condition:AMI | Race:Malay | Gender:Male | Smoker:Non-smoker Condition:AMI | Race:Malay | Gender:Male | Smoker:Non-smoker Condition:AMI | Race:Chinese | Gender:Female | Smoker:Current-smoker Condition:AMI | Race:Chinese | Gender:Male | Smoker:Current-smoker Condition:AMI | Race:Chinese | Gender:Male | Smoker:Non-smoker Condition:AMI | Race:Malay | Gender:Male | Smoker:Non-smoker Condition:AMI | Race:Indian | Gender:Male | Smoker:Current-smoker Condition:AMI | Race:Chinese | Gender:Male | Smoker:Non-smoker Condition:AMI | Race:Indian | Gender:Male | Smoker:Current-smoker Condition:AMI | Race:Chinese | Gender:Male | Smoker:Former-smoker Condition:AMI | Race:Malay | Gender:Male | Smoker:Current-smoker Condition:AMI | Race:Indian | Gender:Male | Smoker:Current-smoker Condition:AMI | Race:Chinese | Gender:Male | Smoker:Current-smoker alanine 984779.0337 1580476.162 1439411.38 948033.8003 1136681.574 1053327.707 860792.1353 792084.004 1163956.704 1005677.549 801426.2267 696297.3346 1133121.714 950501.0999 793996.788 815833.5317 794349.9338 1075781.954 877203.1115 1293128.241 734923.4268 1563939.987 1212499.765 752959.2352 704673.4892 969571.6701 899308.0103 1099877.664 1178447.126 1154087.139 1516547.729 1198759.628 1088320.463 1274599.465 1030022.963 1304411.825 1354085.613 1112310.11 1187157.342 883199.7742 951452.6977 1113448.132 1339531.546 746428.9738 1576022.341 1416075.087 1306034.53 907660.2102 1326994.993 1365525.544 1721259.217 1000552.76 1431594.751 1088512.145 1112714.235 914524.4177 1316109.458 1176272.933 1061295.213 1323807.152 1478937.655 1561373.623 1447808.341 1518342.302 1576895.77 1254256.096 794030.2008 1099432.262 1137594.367 751926.8792 1236690.937 1695808.921 1502667.709 1324086.086 1745483.042 1981806.093 1246502.919 804159.8856 1015054.761 895992.594 716199.5333 1072718.545 1111023.015 1096922.959 1019283.455 1072560.679 1254877.791 1540784.938 1020093.776 1677400.141 1452178.711 811342.6208 1750703.85 1261405.657 1074852.722 1003095.945 1156899.459 863838.4018 1606225.534 choline 34254359.87 41032870.64 38452523.14 34691849 26758823.28 35468120.51 33498381.47 27801025.93 29371741.49 19518514.21 22201186.81 14113852.03 45207255.48 25955010.66 19686369.95 20762942.27 22839944.83 33016142.71 30310217.29 36742783.13 30825420.36 33773781.88 21306216.17 17780650.23 21596662.89 24327427.83 36729930.19 24673162.19 25060774 15111847.12 26077575.84 34455434.77 34852969.83 46350890.7 22346591.98 25927757.86 28591353.8 32125598.21 32378560.11 17027298.38 17434848.82 27451590.21 13910446.09 13451619.46 19899186.1 28496856.9 28478750.09 13732979.2 30679384.73 18991023.34 23984141.1 25327059.03 31069482.8 21486153.66 33303453.33 23895413.28 34994883.89 51054489.59 33229737.49 25729491.53 22128801.1 29929229.72 29507140.77 37207816.03 27821363.55 24953093.03 21646506.18 22602242.1 22287788.45 28343027.97 33830194.76 23220063.77 40362900.23 34385529.91 24336490.82 38255284.69 25810719.55 20932954.69 28347381.65 31863407.81 18465415.62 25133482.74 24403835.71 21770347.36 29301480.28 34791882.3 35573565.94 35585731.38 26284834.64 25301908.64 39746517.63 20109259.76 31772825.11 26747075.89 21026290.97 16064448.25 18392817.35 9990630.362 19105951.18 dimethylglycine 3718998.835 4354842.15 4880183.502 3428432.99 2803712.931 3903855.916 3192027.225 2856371.747 3259853.267 2059676.151 2449325.796 1353616.978 5123806.882 2666824.849 1841103.911 2136988.419 2478539.525 3757649.161 3212777.843 4333777.065 3237607.677 3546950.122 2237152.105 1741581.079 2251483.181 2494912.68 3873804.424 2395445.209 2482692.364 1743620.902 3054739.877 3638972.306 3631435.778 4859718.201 2363822.535 2820933.129 3136653.377 3479116.235 3547038.969 1776385.221 1987669.095 3089793.39 1653214.419 1509214.828 2167209.72 3250889.693 3103796.296 1515724.879 3226931.483 2053199.139 2557379.634 2649584.985 3522441.753 2066102.871 3880508.622 2462887.214 3950574.21 6080583.917 3403972.878 2596274.064 2337054.025 3106950.757 2984558.147 4190125.723 3217839.451 2588143.608 2273741.766 2545685.669 2442389.324 3239005.895 3874682.42 2222066.834 4316264.777 3397039.799 2496255.96 4279400.032 2737039.752 2122185.64 3004200.516 3322925.335 1923833.924 2612396.019 2738815.451 2384977.639 2873626.162 3914286.751 3818697.541 3957088.297 2774674.683 2719194.875 4406044.476 2245702.124 3586581.437 3131189.304 2556608.135 1734896.01 2014991.309 1101703.918 2214932.547 serine 547944.8621 906729.7065 905652.7035 602573.7481 729370.0424 873431.6961 582832.3839 618840.2703 615366.6187 663474.9054 733582.2428 560031.6404 753218.6206 757166.8446 613193.1269 768083.3617 836515.6856 1056317.271 899301.3703 965286.4549 606965.345 687980.2548 896491.6565 617452.6329 454035.3746 748511.273 735161.4503 791585.5962 931502.7296 583464.7698 1045008.816 936402.4459 877557.5315 907144.0138 735207.6597 991744.0458 859868.0298 841694.7266 861058.823 502360.8784 652577.271 590891.5162 654178.1899 509645.245 999070.0318 693032.7988 909452.8048 586939.9665 712959.1279 710856.6853 963008.9474 557477.3978 776382.9526 796541.7545 771669.0173 503327.5374 670765.6065 1265228.467 882290.3144 760520.7689 955696.8841 848133.3886 742654.5435 962942.3724 976856.129 868478.765 448027.4105 675251.5142 633681.1365 685257.3823 1052366.164 928020.1289 897221.9941 924159.044 1282522.348 1128971.052 565505.2133 730381.3716 576620.3453 667104.1247 416284.6804 582388.2602 859502.8628 411070.7982 601722.5468 749824.9066 924286.8025 851453.7294 751351.3728 766011.6503 945283.3922 572712.1301 879283.7445 787368.0453 849383.5926 637976.523 814509.6187 335399.4506 1046528.752 cytosine 103702.0037 197032.0113 342651.5509 107405.2916 28157.35742 301691.9842 126099.3594 148905.646 861.6728875 165606.8361 13417.52607 861.6728875 574275.6083 356750.4487 861.6728875 176495.977 385690.6975 313901.7365 300786.24 348856.459 262267.6129 256185.4949 398018.5696 861.6728875 176898.7605 363467.6708 333750.6357 164169.7092 861.6728875 861.6728875 861.6728875 261161.7479 406831.0369 633196.6935 861.6728875 861.6728875 861.6728875 496751.7794 491427.1334 861.6728875 208527.8393 861.6728875 31148.51225 175432.5269 147411.18 355479.856 322287.5796 861.6728875 148359.3019 861.6728875 541180.7682 188444.1714 536158.3424 257096.036 400728.9462 236963.3085 196323.0587 530602.5682 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 354955.4068 393700.0288 457728.6876 861.6728875 861.6728875 326275.0429 276601.439 682555.5998 378410.3517 377235.2324 334821.6773 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 302120.7794 861.6728875 502452.2373 204312.1814 808481.9753 157919.5113 179091.0553 143238.5761 183450.5664 861.6728875 861.6728875 Creatinine 641990.8128 440616.6538 957554.2743 1050712.837 547942.3001 508607.0048 826977.2429 619268.4296 684219.7417 785392.896 949766.3509 575924.2803 1084132.573 1203806.689 547238.021 787137.22 884601.9848 1063886.779 1122247.314 1774713.41 726513.1898 778578.7427 1028803.659 499110.4066 714791.3906 874841.3367 568331.2429 1108653.61 958832.3737 801711.7581 943331.7638 1380602.197 868800.3735 756904.5582 1492161.939 1600072.36 1119882.597 1113877.613 1377480.363 1708544.655 844134.4859 979127.3661 1413483.761 1093912.967 858767.0444 1118349.733 1284077.03 1216846.363 2071080.961 1205826.799 1551662.982 1927256.556 925543.9786 1579686.848 1434298.649 1144800.961 1432198.935 2663302.819 1210431.064 1373402.122 1263062.955 1668882.441 1952810.496 1672780.511 1523034.416 1893584.958 1270921.896 1187146.035 1295326.877 1168837.868 1533462.669 1183956.021 2340054.602 1230860.618 1391363.512 3697292.46 797354.131 762545.4843 1025367.282 1413108.322 2777998.639 1111392.937 2944727.292 922565.8541 928345.4208 1341280.619 1353045.309 1791719.154 1846901.061 1666021.357 1298241.683 936261.4485 1429643.371 1400407.899 1253122.525 1478556.284 1805679.927 992395.2635 2227559.725 proline 4353703.491 6676894.874 9821101.37 5218304.099 5440653.917 5073867.223 5392554.014 4001409.387 5198761.835 4358947.458 5832595.76 4160489.75 6822947.732 5852096.199 3355246.073 5643425.787 5758175.579 5774322.722 6320442.199 9117361.098 4284926.068 7107230.307 6271414.991 3343722.093 4345368.652 5629515.738 4783042.795 6426645.1 6806273.813 6701394.049 8971099.006 6446048.255 6058843.345 6546426.853 6443986.466 8799947.691 7343136.596 7975061.187 8142166.11 7116972.693 5392235.43 4632857.613 9442790.127 4799549.619 7881457.683 9292147.269 7756471.396 5834296.448 7456530.022 6941861.183 11698273.03 7808604.867 6157540.657 9452923.178 10285816.27 6013107.948 10352184.08 8241147.577 6877416.092 5750079.393 9880929.87 7756392.539 8273034.305 9921371.892 10486410.72 9421042.957 4829569.609 6305920.182 8747800.533 5634302.038 7827302.013 8669268.939 8499269.639 8366156.527 9088878.741 9992025.644 4206619.506 5241562.373 5549874.446 6150430.407 4069628.984 5647704.25 5988185.53 8288150.222 5342522.16 7124348.573 7507137.474 11389741.17 6616215.197 8939441.405 8793684.223 5615683.622 9837162.712 7814815.973 6497683.323 5772727.359 10718824.83 4517407.155 9739605.656 betaine 14648875.36 9872959.949 11738862.67 14165459.31 6190926.062 14408555.39 14442192.5 9533415.45 9422560.224 9745478.93 16784786.15 12714653.33 21595494.95 28822142.27 10518304.96 14266707.79 23835930.21 12972496.16 16066126.04 15847772.52 13185411.86 13544011.59 18167322.25 10202177.4 12099265.13 28524433.22 11014853.2 11386403.82 9919512.675 7871601.748 13017847.24 22663168.65 13289113.08 30105525.43 13239861.24 16274873.96 14452922.5 18590207.78 19765629.03 8262095.995 14227217.83 14169782.89 19721408.77 6673628.436 11813546.15 18540532.03 20407659.96 12122329.59 20099085.89 9849226.184 22118456.25 17381196.87 14732933.96 12076988.4 28564321.21 33544866.83 22704858.58 46602692.72 17307386.72 12413165.02 12837216.52 18350062.57 15944137.1 19753062.97 31734340.17 18145640.71 9669317.956 14761745.32 18171190.56 24761995.24 21925822.6 27915248.92 28820330.7 18993486.61 9209840.855 15141407.13 18651066.54 7954020.181 12923244.68 8221632.534 6940462.529 11423446.61 11055914.58 18426963.85 13452343.8 19373591.83 10960375.74 8437459.033 14195596.74 14725942.89 22967873.12 18957894.76 32979845.26 19112455.32 7705276.783 11911320.3 12819690.9 12844893.41 23962527.5 valine 59522.01887 88940.30907 108203.5432 69653.24372 68710.11315 77673.04426 57462.39654 32021.13621 76327.82041 78699.83533 114304.553 79260.10605 106696.966 80375.23697 861.6728875 68562.34288 69656.53598 93038.75173 118918.3578 136653.391 80550.35676 55556.9286 108923.8385 61873.04624 56871.7749 104496.6745 94989.49605 102528.0141 106325.1999 49585.37451 143335.6118 73779.79548 124834.8177 73277.63638 77757.12708 130909.4871 94414.98319 104265.7063 138289.4353 63086.38138 97180.60464 37414.55349 69551.91367 82220.28336 130482.8945 107903.0184 109402.5799 76714.9012 171069.1587 60414.90311 116389.929 105111.2063 115267.2719 109375.9211 118728.6967 57386.58064 77777.17028 121705.4659 32499.02871 91216.74931 129666.6271 102761.8804 106290.3262 148682.9543 93294.42168 68232.64717 38794.31095 111210.9723 93348.10802 85284.0438 158888.2059 108440.3677 93488.21036 114302.7047 124617.9673 92803.17369 45358.70695 77378.77584 67818.10495 103765.2459 37028.76056 101382.1202 105383.5039 63047.05024 61777.75733 93951.71962 111932.8026 125854.5752 77193.52165 94650.17661 102864.823 74201.29878 126880.43 63735.75828 110806.5407 80327.88689 94000.89174 58569.25978 131595.8096 threonine 573473.667 782494.1249 780967.9785 451133.2798 905225.3077 671178.3119 564308.2506 501413.0133 543810.4804 501030.9296 710574.269 447081.0704 549146.0613 609314.5618 525320.464 489015.4492 499244.9426 863813.4433 701670.0987 723449.5809 379039.0758 556480.391 784783.8915 476967.6699 287730.2595 442358.9967 542598.698 516277.8212 572001.0742 490957.3778 1028615.029 872797.9205 658296.6527 850872.4789 682893.1279 870797.835 613515.5409 502297.4435 803460.3211 457033.4227 641234.5756 394799.2245 587640.5346 334885.8322 757287.4186 666116.7154 892754.8774 453600.7774 681111.9055 490612.9622 924415.6579 489551.5478 722106.0585 608051.4651 699460.351 302930.7341 513265.5438 861.6728875 665770.6066 492310.5053 884367.6358 648661.5276 603985.1044 898148.0844 977999.7645 763392.691 414155.9544 527696.221 662742.0058 419897.0001 976586.8799 801160.9847 870610.6611 583570.6506 1356345.649 934398.6881 491037.1514 702115.7289 498841.8723 510279.6261 419152.2718 404956.4958 653612.0702 445045.4143 546566.7277 640732.287 593467.3499 911592.2216 514856.4557 735774.1524 763010.5974 522640.8395 678199.0744 677996.999 690819.2157 512067.2997 423591.382 319302.9763 972048.684 nicotinamide 1225798.775 2006997.509 1988902.377 1985671.328 1851022.964 1536485.042 2183334.503 1680403.446 2025963.171 1402302.688 2243781.394 1795199.792 1114739.594 1245743.233 2083301.455 2329545.906 1206351.637 2232295.949 1728213.369 1954407.005 897458.7583 1762089.406 1714763.461 1696956.1 1064182.013 102061.4201 1682405.461 1748997.262 1772916.591 1211257.105 1803844.219 2817011.187 1837692.369 2189552.405 2508497.92 2461508.091 2574574.972 2223651.899 3049468.034 3790120.527 2214846.927 2317112.749 3866833.451 1645326.305 2174844.12 2152427.009 2439964.415 1214265.074 4187894.3 3168230.598 1605220.406 1432785.732 2469960.086 2478410.806 1582863.606 1304310.595 3039186.992 2877065.577 2830663.563 2492798.927 3136405.999 3058906.134 2903235.986 3186018.824 3353610.06 1718594.021 1691060.108 2284305.943 2553534.334 2298717.521 2038094.426 3413476.508 3706615.39 2003830.941 3594570.717 3192346.36 2888499.533 2144937.508 2585781.856 2166811.129 1608036.822 2091082.127 2533507.564 1363758.886 2077950.88 2768601.764 2845735.261 1584470.5 1578442.768 2712875.446 2351633.243 2415022.496 1320285.657 2565127.798 2232558.841 1964902.394 1917180.727 1127898.8 3369171.583 DL-Pipecolic acid 7538404.296 14184047.57 13142873.1 8717600.805 8125306.026 10638793.29 7193309.498 8146353.413 7919942.252 8022214.526 7942129.931 7016319.93 9040304.856 9704445.825 7397324.943 8823550.496 10285089.5 11705045.56 8838147.438 13333725.74 6184944.76 10351707.99 8483076.558 7222768.607 7063784.925 7378389.605 7568351.107 9279757.069 12640204.33 8955611.766 10952414.02 12608725.7 8536476.961 10658572.12 10982466.24 17092974.28 13977580.19 14441349.43 12581436.65 9644443.761 12318795.09 8718422.061 10362013.65 6518620.362 18157920.85 14016611.14 15794008.73 9261380.924 11514390.77 11511742.45 12072599 13562139.98 15008681.51 11478380.5 10148281.61 12946059.17 14203786.87 9315228.593 13406732.11 10618338.26 16185139.47 15566911.25 13474559.21 13203843.11 19619660 15518913.43 8452221.238 9227506.385 11815689.61 11333677.66 12334706.15 14382911.02 15099711.31 12155159.18 19755008.09 17281191.36 8172254.644 8588676.823 8407665.273 7976494.457 9016209.266 7876123.58 13765322.05 7769559.702 10460854.11 11155228.83 12461803.67 15501816.95 10258266.08 14375527.19 15612738.33 9350283.446 13110385.76 14770795.31 12514651.49 12079236.35 11962332.59 7238624.041 15947426.32 leucine-isoleucine 9991993.036 15102331.88 18814371.53 10600658.71 12850471.74 13073769.49 10045522.75 12088025.39 13603450.79 11707555.2 15246120.97 12452131.93 16205804.63 13340707.36 8667107.473 11206103.35 13356725.38 18816920.19 17324241.67 23704853.26 10729093.41 12479729.49 16608626.27 12120928.66 9059173.221 11035028.14 14712560.32 15603205.21 15653550.84 9510562.653 23520728.16 18326920.95 14398149.53 17632867.39 4022616.209 17819306.43 15193542.31 18395007.58 17455028.38 11742800.69 13759324.71 10309986.41 10860556.31 12315844.76 17635294.55 12343815.89 14198966.88 11290881.29 17132654.89 10885819.3 18795898.3 12200508.52 15255958.52 15495537.58 15797953.4 7964805.549 16387094.23 14469031.62 14448765.29 13085482.13 17485436.47 15615773.12 11601151.95 21192071.64 15213794.42 15693733.54 8401330.563 14459837.42 14246369.85 12015159.36 21162629.35 16476077.24 18676408.52 6870010.846 18432545.96 19258977.26 9611012.105 15749034.21 11529509.81 13657319.96 7224413.043 12186586.97 15197800.49 9029727.96 10296246.05 13066115.86 14306443.93 18172216.71 12522933.26 11003382.84 16890065.7 10455792.64 17990783.6 13264645.7 15017164.73 10773624.41 14279659.12 8641290.152 12764558.09 ornithine 50376.85087 121399.3865 68153.07663 46991.06539 34811.27758 34088.83559 65942.08276 26531.03895 54266.3703 95830.7485 39408.49536 36381.98635 49700.90644 91907.25093 861.6728875 30037.4332 88783.13048 79732.05731 27133.05709 51405.71266 25565.31448 92820.50878 44376.09643 66517.04301 53446.42711 77263.0301 40863.58875 68403.96246 62920.36467 19799.92996 56075.87365 53037.11454 53240.10169 123617.1474 86931.54307 75202.19486 78287.73739 121614.3604 101552.263 41214.47765 44651.02711 68123.51143 861.6728875 861.6728875 75963.14777 137997.3184 82153.9768 26732.74759 48660.02842 87400.62146 73731.98436 73649.09043 76421.56812 56825.66916 44024.08271 100662.5578 73898.94779 407153.6241 48819.29789 66082.91615 13907.24272 100854.0401 85051.53366 103438.3059 103763.1408 123243.5028 46998.15267 64067.21534 109993.7292 58054.96658 37418.72255 99774.40345 73293.09979 59420.5213 96014.39687 122295.195 64030.33463 42025.69249 861.6728875 34806.49588 55283.95275 72187.97842 52181.01862 48621.12187 56916.03527 60990.17789 63616.55553 56186.04969 92917.97085 99809.90517 132865.1578 30562.93726 162957.4419 38517.96584 63628.98381 80901.49346 103640.5293 39331.2423 91373.16388 asparagine 119040.0769 236927.8808 228421.7446 163234.1429 181000.4395 188457.2966 113825.2763 142519.002 175164.0361 119527.4219 151927.9908 170446.1192 133966.0574 165055.4263 143557.4354 162017.5048 195272.5499 222735.0977 256315.9386 273568.3095 131616.5883 194004.1437 219369.0728 143945.8002 117333.6877 78687.74865 225027.4963 240958.8282 334424.8542 178672.4421 333045.3591 276751.838 206670.4863 187871.9081 207629.9282 255330.7552 256662.1505 153369.3162 216068.9062 148964.0392 238175.189 172582.1081 160216.9037 125364.8298 382380.6111 197194.2161 265549.3656 175920.8935 207081.8819 224050.6067 300894.3282 230872.9501 262100.2434 171464.1442 112452.227 206769.2251 276071.9429 46749.74498 221480.1364 196396.849 296854.7389 245907.0067 197522.5251 307551.9317 276544.693 195391.5001 131509.144 170880.4561 210915.9392 168722.2302 289351.2218 244862.9573 207378.365 208918.4875 409202.1741 357719.888 116864.3597 194572.2306 151767.2887 154948.705 107525.2898 171817.8419 278642.1785 106011.6641 182137.2698 220797.2475 250088.4819 277090.9446 181778.6346 288082.0791 214569.6814 127858.3006 143753.2341 298117.2997 278240.1587 182797.6423 194164.3052 122937.5746 271008.1731 aspartate 162097.3202 285994.0572 386071.7942 173684.891 336672.8915 452976.2308 255697.856 163676.1157 300653.9267 220308.7614 278514.2461 385069.0403 523276.197 222346.854 318854.0581 289297.1209 488911.5441 277954.131 265837.0648 563877.0142 321444.4071 460177.2586 285134.046 238839.9008 240030.7211 461146.5031 401848.8875 714874.2453 377604.2883 400485.8077 367639.7173 339438.4565 281072.4369 601779.665 273048.5389 258925.787 310189.0198 379164.6348 364682.1878 225882.8092 223874.8543 280733.271 293041.2256 151600.556 666338.4454 663205.9735 474806.5455 382700.7884 471064.499 286893.2252 438748.6324 576284.8384 527190.2873 478185.0882 486035.0969 609090.8998 611761.9611 642051.3398 304746.5948 355532.4963 482924.4229 478703.1824 295422.898 314829.3496 505134.2548 530982.9096 203213.2345 202527.53 622426.5937 289152.5553 352613.6331 654985.2567 365727.9389 514110.6222 850292.6689 425955.7137 155182.756 172550.5852 329331.5768 233562.7828 304343.1392 278729.7214 470334.5553 205537.9286 281463.3843 196495.0251 668538.98 619552.2087 515279.1432 278948.0143 338440.7937 309643.5534 347063.839 531789.1406 629247.767 258805.0464 335261.6624 264802.3075 263001.2964 adenine 17595580.95 14603861.31 11115982.97 15779281.63 24551516.92 17730147.5 21628148.9 25760741.96 7130594.25 19669653.31 44662917.59 5467821.885 38343993.83 29825250.87 76839707.04 44485621.92 61129095.04 30385178.31 55237060.21 35960189.62 31405889.24 63013457.44 22082714.04 39298062.28 31842931.82 65758836.96 53997534.14 18317111.95 56926101.42 14219463.65 2582705.192 24936646.84 54202165.92 42696283.43 3757664.138 1441142.091 2886512.372 16532981.1 33638054.57 36741096.94 27284417.59 34715727.61 86564335.99 21844736.07 29439711.88 51654307.52 21903971.09 33362034.34 31021307.43 46577492.22 32470668.89 52785719.48 33191350.41 48580570.02 30397004.65 37872249.15 36844227.57 17695814.08 8722799.834 6718357.537 16418718.25 44160610.48 15648876.76 12206009.34 28180776 44189255.71 9926881.694 14170322.52 32429829.54 41966975.33 24755152.14 18332436.99 17111663.88 45792002.58 28164970.24 685443.2281 3306185.305 3572892.06 3389593.824 3255681.138 4591750.954 3797089.693 2013508.672 4048320.385 3028862.103 2101889.014 1854196.93 2195052.231 31334552.39 28605136.53 19285971.76 21069597.65 27861685.7 54639128.8 7742685.752 22368289.95 14588995.34 22401779.62 25693891.01 Methylcysteine 59475.39917 76378.06396 119403.2156 80943.38417 58297.46275 63366.40575 54723.95278 50320.87934 86606.5248 66256.93727 61773.6078 86891.62648 71941.98882 79544.41745 861.6728875 78555.38659 120609.0593 88050.18053 102343.0382 154709.0084 66635.71814 83357.56635 59003.65608 91539.25951 68493.08847 120325.7055 125854.7753 91634.55497 102857.5991 54315.74071 122895.3981 103668.1282 137035.4685 84330.27283 58511.49537 96428.9953 100015.1626 106178.3282 134733.6287 43500.16589 71755.75639 76133.15669 44095.38871 68590.18598 88850.30949 76927.62581 97022.67271 52089.17159 77259.6938 107045.4997 87971.95342 93370.46856 110388.9465 68354.80543 76753.48966 35228.02431 98884.97082 155821.6903 103083.1852 92904.49045 94236.96582 47860.30133 59143.44951 104606.1312 88884.40847 107238.8316 40443.40174 98844.74279 71096.76058 73011.40892 104978.5791 119356.7416 84235.22836 71326.04366 119939.6799 119886.5048 861.6728875 65819.17181 70482.69562 67909.52445 861.6728875 108514.721 75777.67794 44024.11914 102780.9221 72410.57317 81656.51975 101336.8842 112207.8335 103290.4971 129576.73 70649.0938 101898.5692 74525.19956 98638.81298 62255.12228 87995.39149 50117.20594 110601.3367 methylnicotinamide 1563713.796 1915918.586 2139127.289 1491312.535 1617556.541 1534048.195 1643455.735 1343952.215 1602616.128 1823158.185 1572726.573 2060897.434 2783482.517 2050284.619 1404393.562 1913324.891 1754868.802 1818537.235 1956677.148 1374601.245 1302206.356 1898704.139 1306436.215 1734728.785 1261630.781 3199328.816 3628434.26 1353683.616 2094166.27 1369016.317 2185106.053 2104018.953 2911900.305 2481656.42 1841112.458 1792494.258 1350390.435 2435436.487 1560042.817 1261885.323 1206665.336 1698218.412 3070931.823 1252189.037 1533505.727 2192090.352 1314068.59 1654697.732 1297321.685 1507145.419 2515256.158 2301763.269 1561388.274 1650334.88 2860135.195 1258183.793 1475718.253 4839055.695 1552557.537 1222896.002 1911214.785 2617961.627 1366639.877 1037295.183 1404630.489 1237930.092 1219534.614 1411912.846 1012344.443 1692894.274 1176518.075 927414.2711 1194566.236 1659991.657 1875843.756 1596745.072 2269812.323 1708341.18 1761549.459 1334249.329 1449041.642 1690606.797 1566786.21 1026912.537 1250761.675 1406080.189 1354678.896 1522292.747 1646495.853 1873242.285 1470899.999 1231329.598 2794849.055 1653668.058 1372486.798 896465.7096 1109780.308 1150622.451 1761616.082 lysine 37587.38166 49547.66752 60868.69408 861.6728875 34138.09291 82478.98313 31725.42355 52883.78776 45198.16255 56648.4538 48544.2152 33146.15396 69006.73627 861.6728875 861.6728875 48586.68851 74285.43823 77674.01956 57876.51512 76447.34426 46722.68766 30727.2433 69435.5948 41377.81393 42421.34561 58042.95921 43213.6046 61943.98357 77566.11318 18153.68054 80932.85922 82900.48182 30236.27871 56461.575 32649.33063 82836.08137 45230.10094 39230.13457 59671.59526 32000.10539 48054.64314 37979.52941 861.6728875 32419.33085 67442.05513 47242.18221 33236.45609 29618.84726 30203.52093 32011.82587 28040.88365 41913.51526 46180.16898 42068.64811 51324.2808 861.6728875 66895.32865 107383.7399 46959.89674 48722.48045 64307.50579 31926.18449 32968.30351 66526.91437 49088.22609 56214.80214 32044.7127 42341.21684 55536.11467 18743.41787 53369.49519 48305.48482 62181.49573 61006.39844 57790.17447 65843.31337 42262.53608 66662.59163 59411.17469 60471.8185 15808.64826 62148.97502 42022.84649 35576.67531 32295.62303 29947.05634 26745.53596 32229.60316 54694.42505 61575.57323 30939.84111 33475.6954 63941.32429 36257.35488 46971.19363 28505.48142 47706.64293 26980.85001 63576.58614 glutamine 3567524.753 6085198.163 7055841.473 4183766.371 4496569.532 5240533.323 4034142.269 3600975.771 4126670.82 4051679.963 3759824.632 3261332.987 4197694.907 4680725.941 3490743.917 3619116.59 4906297.977 5124808.752 4449504.522 6594722.665 3230296.483 5121145.034 4261884.366 3066128.615 2974446.947 4061334.057 3329180.861 3790400.734 6170598.344 4481426.02 5382769.593 6898478.73 5101177.448 4543980.783 4643089.926 6987116.556 7227095.272 5701756.695 5712733.272 4862560.453 5157162.377 4508056.132 4693675.796 3540751.46 7511189.834 6999654.24 8452561.635 3689245.362 5443430.774 4957933.462 6211907.422 6284896.698 7376271.124 4172191.896 4446927.155 5626804.772 7168211.794 2588393.273 7224201.438 5686295.924 6585228.028 7977832.294 6441719.124 6192246.609 9111283.591 7688399.133 4170851.66 4763180.206 6602115.761 5329441.843 5986995.321 7008193.803 6612936.916 5970187.861 9567255.297 9360028.32 4114115.338 3992577.405 3835144.526 4033682.998 4054533.088 3330332.036 7821518.816 3451982.452 5427094.669 5564164.562 5732010.381 7400742.707 5665178.105 6307647.359 7651653.755 4237032.163 5105128.804 7792947.87 5894093.667 5759301.327 5626616.31 3740202.213 8077418.726 glutamate 5227658.278 8622340.428 8306399.756 6228463.253 5512349.321 7661241.244 6394173.483 5185614.547 5590164.482 5461047.011 5931523.062 5892810.287 7878437.026 7831465.5 4716826.063 6802716.733 8339751.713 7842644.352 7973035.667 12354464.52 5359163.646 8271785.035 5647483.264 5867554.775 5228182.883 5734627.522 7462747.542 7879640.02 8760091.324 5498452.58 7034656.003 7071289.317 6288556.356 6971740.964 8328253.662 11821774.56 9042443.69 10825964.92 8501007.933 6377008.501 7191806.059 6537485.274 6626588.155 7594408.964 9935941.843 9898691.623 8510285.238 6814487.217 8509003.397 8094072.371 8547607.201 8772561.432 11356738.26 8325506.996 9623327.332 8714883.656 11510145.82 10385527.73 8853075.551 8245211.821 9783449.804 9812676.833 10046537.62 10799867.76 12948263.43 9349639.772 6274718.249 6250444.429 11623327.71 8783188.549 9623673.223 11510017.48 9683145.048 10012863.37 14479594.71 10287300.06 7162016.589 6468342.125 7105330.038 6347885.349 6220114.848 4667666.68 9892078.672 6188182.625 6171043.865 8448525.782 9706508.25 13477966.71 8208938.449 9446691.711 12030467.38 6757236.747 12954587.05 9750893.157 8186742.102 6361718.687 7315619.645 5896108.252 11934697.1 methionine 702058.7988 1270406.799 1356978.909 812476.7391 859705.0725 1154014.26 616985.4354 765263.1322 1094559.7 953045.5721 912935.4058 814053.6935 967957.1424 958226.4875 622639.4522 912899.9732 997282.9514 1265448.798 1219552.475 1691378.862 744580.5128 963088.4691 1054185.064 938127.2396 763391.2309 806639.3759 956888.6726 1133692.856 1037732.64 623690.0188 1597677.078 1101643.389 1138778.851 1110179.994 967827.507 1326164.58 1111374.38 1373458.238 1239917.313 737348.821 918206.7711 799193.7169 890467.5837 891688.0292 1195580.943 782938.4276 1112533.553 737623.2865 1122027.023 836853.522 1433566.218 747364.9154 1200595.954 1135329.391 940677.3842 502938.0192 1207670.628 987677.1507 1042775.374 976795.8932 1022119.266 1031053.739 742419.222 1500635.737 1137495.901 1222572.265 465801.403 1136690.219 892886.947 864620.8504 1316298.855 1043436.824 1122174.436 1052276.287 1357534.341 1303302.807 849737.1305 989810.1465 939024.1225 883450.1505 560402.9104 989131.7027 1069334.98 656618.9863 705659.517 1004871.225 1040556.854 1007720.381 994530.2528 1235146.216 1138629.994 759859.2685 1352439.052 947977.3192 980510.7102 696932.6142 1055322.944 653120.8524 1193710.012 histidine 2988209.449 4967984.455 3704296.954 2755277.956 3844733.213 3214466.272 2150313.769 2905121.663 2873541.412 3000305.376 3823441.153 2561043.866 4391602.707 2551274.203 2333633.264 3330581.644 3568728.044 3892307.946 3096135.831 4081562.715 2176518.093 2737607.473 3709171.271 2484914.338 2060829.301 3069150.17 4024719.549 3322246.897 4287846.347 2093099.97 5101424.201 3979754.089 3532045.163 3478254.854 3524117.597 3983070.804 3111829.49 3172721.162 3768701.795 2471178.014 2587549.101 2354928.307 2222083.885 2097854.738 3483654.531 2916848.987 3706662.121 1820540.839 3377914.236 2330068.493 2235392.699 2226804.235 3369695.705 3794784.172 4002866.958 2446658.234 3636790.02 3384212.467 3492934.618 3094354.886 4231798.334 3533283.52 2552337.557 4492433.818 3256666.165 3806100.285 1707891.897 2881109.124 2534190.531 2278023.208 4492882.876 3784810.248 3810380.403 4160418.494 3947322.851 3974161.859 2867665.346 3308174.204 2618907.656 3181680.31 2575790.576 3186915.723 3776932.156 2354695.923 2898317.205 3343428.502 3486389.014 4056789.885 2552833.505 3652549.98 4177630.446 2920375.004 2959691.045 3613686.388 2743041.932 1765399.531 2197255.967 1594036.68 4966067.726 2-Aminooctanoic acid 14291.8593 17084.31167 29253.18951 49098.67594 22944.22354 21307.40265 20344.65752 16667.29761 18098.23656 32158.79821 23493.46558 38150.58358 22979.39071 25440.78192 87216.7455 29946.69485 44525.92557 861.6728875 28570.72745 27931.8994 27161.17265 25829.79573 43622.67787 34785.35801 16095.51671 95740.20244 56768.77512 22431.14763 17614.11465 27557.23477 31982.11712 46571.57337 25455.37756 28578.99186 10220.88154 22094.28758 41558.44275 55964.56046 18873.63104 27182.87097 18286.97081 16616.08716 47367.1865 72447.43202 17962.58079 75620.08484 29184.21321 23625.51792 36205.86748 94422.09041 9958.224345 48085.41504 58751.47238 24183.58164 19819.28318 41612.97936 11970.51741 27844.31554 24481.61554 30756.47257 88057.15586 30488.78916 30251.14554 37897.93375 54333.87262 73837.42329 29414.0763 49339.62221 22705.76511 29769.09851 24984.55495 11692.6839 58574.66555 45393.18883 31106.01327 27418.78782 40260.78087 17329.92945 21526.03721 117433.3012 18209.58467 24617.32766 37512.55152 46073.79774 40507.26397 22249.4119 52979.33076 100102.4725 35286.75012 86972.11286 18349.0098 33117.83402 60531.62436 32150.45618 47332.60316 33671.10982 24126.16742 48831.52686 38539.44039 carnitine 2313352.943 3555081.22 2856502.836 2642811.367 1517175.851 2806595.386 2228858.631 1994861.968 1697655.15 2560818.308 1893487.979 4040746.177 1104435.787 1453191.209 3911787.835 2119612.018 2081498.019 3688277.041 1673690.337 3022812.126 1445003.707 2886979.312 2150607.959 3815619.511 1260223.661 3509804.886 2469549.146 1277620.062 3172069.818 1082506.121 1317283.836 3208758.652 3968273.135 3551261.944 927292.5947 3064420.896 2863694.024 4588349.872 3819406.032 2844759.635 2555981.863 4636795.076 2361795.814 2842539.466 1547227.667 6046548.644 2754560.152 2155329.697 3034259.485 2231244.77 2083847.47 4039567.97 4181565.742 3882608.756 1656413.542 1958469.354 2093361.172 3336830.01 3493622.675 4481364.627 2111126.103 2863179.435 2520415.499 2520972.105 3032683.036 2776259.767 1676770.468 3240965.391 2470849.224 5045791.976 3103672.485 2578614.149 4165881.564 2178062.027 2372918.795 2701639.483 2307925.839 1200733.768 2654154.517 3890513.198 3352886.35 3693542.898 2978075.692 3368395.165 2722295.821 3608268.595 3005617.315 2247188.049 2988024.377 1497238.67 4695145.75 3380342.365 3230141.539 2710060.343 2197068.698 2016027.665 2454223.295 2022475.3 4339869.293 phenylalanine 1298525.339 2126847.765 2489394.176 1440194.66 1612888.566 1484567.506 1189708.599 1418926.666 1655954.967 1419159.398 1993581.311 1404960.143 1749306.62 679514.9368 1153579.2 1543051.266 1816277.293 2345351.953 2247687.69 2792229.462 1425828.537 1474875.304 1878819.719 1667040.829 1203091.294 1223037.805 1713560.164 1834474.926 2070967.56 1208226.618 3250437.835 2270006.244 1740976.769 2110603.402 1381235.181 2330324.357 1835102.702 2318737.159 2146766.189 1538992.578 1808536.734 1142726.046 1635227.701 1555435.113 2095321.95 1585073.798 1598461.573 1289026.925 2157705.974 1432701.16 2031132.374 1393268.582 2085397.614 1963639.106 1852935.7 1035740.262 2124185.446 2468181.468 1809012.969 1677378.809 2399500.32 1844457.834 1442383 2569969.228 1745410.13 1914757.729 931843.5999 2009901.01 1736883.252 1406098.261 2357604.305 2023077.134 2279010.57 2110882.585 2266722.932 2290854.799 1297204.745 1702688.108 1430343.315 1468930.529 972317.6637 1395438.605 1675839.643 1041367.054 1069189.429 1732516.054 1985150.434 2142008.121 1840668.057 2070800.297 2323074.514 1332104.592 2177246.312 1637129.28 1859759.268 1289287.605 1765971.414 1120120.072 2397387.76 arginine 1320604 2596042.182 2361265.667 1776722.346 2328596.436 2133481.682 1536853.523 1353951.785 2091103.777 2484824.7 2727083.946 2024859.639 1188136.623 833216.8741 1801858.575 2300528.344 2402271.997 3643472.717 2562009.13 3275092.033 1186671.966 1561311.455 2704697.008 2263979.944 948061.6664 841458.0992 2345500.555 1904622.525 2327302.392 1489173.227 3600632.259 2732462.302 2101316.953 1126039.359 2023805.039 2891397.834 2262231.589 1090852.807 1724150.314 1401941.902 1605475.545 1690562.893 1455303.332 1757925.98 2829285.988 2082415.667 2642093.258 1333826.661 1818831.796 1425427.076 1668403.333 1437638.817 1903706.242 2294944.94 1520552.316 647660.9561 2004855.697 528803.6997 2391808.11 2043670.554 2869004.88 1995872.854 1351439.45 2584841.952 1576821.334 1678803.577 876977.236 2543995.865 1603243.809 1465154.669 2352323.439 1824802.265 1906258.652 2166471.64 2707462.727 3033847.079 2065663.281 3134886.858 1952076.414 1884916.803 1749505.058 2062599.741 2826710.586 1435812.747 1723634.122 1926826.028 2439989.814 1997517.832 855385.2488 2509657.413 1753968.454 1223644.106 410372.4934 2178181.04 1735443.124 992719.7699 1892054.299 814845.3865 2716385.301 citrulline 626207.1429 504556.571 487279.1551 424350.2928 155863.1236 341248.2115 316119.2424 490256.9151 273015.0155 216279.446 166783.7221 184004.9168 1307182.567 1380168.967 155883.8766 363874.8315 639185.6904 435253.3266 411932.9446 465124.1453 899814.9741 470848.5738 535054.4598 362041.5392 594979.0257 1326289.506 390026.875 681451.439 368632.1 219172.1698 280572.8719 283117.6485 496607.6394 1078883.793 276736.6857 569937.0445 318600.695 2117537.975 950200.8917 404453.9322 580813.8976 379868.8005 192157.7059 211866.2395 553363.5879 558501.7516 397024.3939 305877.0204 376227.2889 192373.8609 697553.6677 648856.4892 716518.1457 476392.0503 964596.3973 574086.3145 811044.5303 1225965.932 308310.0606 199089.9876 187702.3364 390456.2158 503770.3521 447189.4407 654936.3013 1675492.023 136595.5002 412729.9632 699708.5145 412692.2133 527972.4701 603954.3982 325165.7998 618592.096 533978.4952 521530.6045 209211.1718 219480.8794 170102.6645 196154.4577 421183.6222 138116.4359 567748.4139 257944.407 169574.4497 206873.4797 172294.5455 308684.6996 961878.4529 173807.823 907315.2459 699785.3301 2118071.631 367216.3137 891550.8003 570083.3098 475703.7278 360016.647 273606.1589 tyrosine 191611.9251 315626.2635 358525.4708 230582.3257 232216.954 282823.9126 174601.8185 226478.2089 234917.3857 236702.7329 281613.8812 206707.2024 304400.5553 272652.1371 277658.0569 256911.9256 324310.4701 338454.4198 293925.3038 410710.8732 243660.1458 223829.1317 338504.5766 267399.1562 156680.7943 245110.4701 314995.7634 309086.8089 315477.8631 194517.208 434740.0935 355199.6029 266493.663 385355.7434 206869.4693 371966.8039 258051.1287 296218.7106 330162.6239 166952.3828 252091.0806 190457.381 229354.4463 239286.3134 332015.4786 271142.8025 315258.6202 215483.1883 259603.5279 237940.008 331680.9934 261922.6138 332619.5968 316297.4795 303425.1346 136950.4386 239027.6071 401779.4991 257890.7795 260259.9391 292526.8361 289014.0218 275622.7203 442076.0235 333238.0939 333832.1831 148800.8266 326136.2917 225257.5169 255703.2471 403391.5829 348847.5158 270754.9193 333805.562 382881.4637 346288.6595 218927.6995 216908.7388 274356.6602 283256.1686 200318.6362 254289.4983 263891.5551 158597.8577 177816.8835 255891.3397 286874.3638 286631.5081 283635.2438 324090.2379 310802.7207 243828.7891 368281.5304 285372.6066 250817.5438 221804.1851 253810.4052 173046.5039 384011.4046 Phosphorylcholine 963612.7471 1611995.612 2896983.414 989037.6258 1396946.066 1490423.356 1029772.399 1198934.386 1871700.373 1114823.781 1682261.933 1321856.509 2060463.683 2052648.035 917117.1711 1536822.605 1506498.034 1899147.284 2536959.764 3046291.572 2319607.316 2105603.943 1607919.467 1569193.41 1944169.235 1289271.822 2511888.347 1525684.82 2379991.65 2617178.263 2218815.953 1292478.468 1517014.698 1335847.753 2134652.838 2544478.132 892290.8545 1461410.849 2338167.268 943799.3331 2839533.9 2225242.345 1019455.88 1671569.292 3188633.81 2411318.126 2931762.323 1647112.37 1997258.441 2218321.953 3773484.349 2699129.064 2747828.943 3086314.861 1884368.34 2376616.71 2188694.806 768688.4817 1711742.339 1367874.656 2097819.544 2341751.3 1906544.601 1404173.087 1648336.475 2377547.875 1337738.194 2201980.693 1429579.359 2147605.494 2396504.121 1569974.612 1553237.616 1958372.289 1559375.2 2119287.175 1373989.464 1213478.163 1148512.963 1263955.59 893661.5085 1114254.59 1924004.096 1614413.637 1585321.314 1672343.309 2498514.181 1257048.68 1679896.293 2326334.723 2089702.646 1729169.644 3329753.612 2359375.273 3316797.334 1856043.673 1084485.449 2189658.316 1184932.817 "Ng,NG-dimethyl-L-arginine" 61798.29906 79889.37326 57992.59471 61926.28132 80971.64075 74060.31882 41703.10186 27879.96889 54788.71046 49686.51487 45415.60313 35879.85966 83837.51455 59191.79435 82687.68923 57010.20591 72034.56059 117963.3178 92987.44923 98021.40307 35368.1088 47391.88258 77891.99855 65371.41608 42426.17816 42332.20255 121262.8091 71425.5891 78608.22503 35010.11683 100802.2217 74379.59868 97155.09994 98939.10272 63330.50411 78007.24627 71672.87813 95038.8145 102660.1904 59533.07007 29671.39759 43112.03386 45708.40996 57288.22595 91571.66215 26097.39026 87294.28226 44257.88717 84077.84 68427.65332 76898.11241 42294.44352 66363.73657 65045.0677 38867.22606 26278.67211 56598.29205 76217.14362 67336.19932 60498.17465 85334.87239 32950.33932 60680.09026 94381.83277 67527.40574 58541.17281 19796.14527 62918.17643 33771.16251 20340.98811 109666.8294 66920.07764 100145.1216 82192.60182 121444.4009 70489.4855 41462.16507 96094.39809 52654.54379 34581.96786 861.6728875 59385.34529 79135.18679 37320.45134 40470.61954 60117.56521 74025.88869 49262.85957 39845.23501 85781.35687 94981.02518 67131.15836 61345.53773 43061.81988 48426.73794 27435.16194 34983.94693 16918.35411 117106.3802 Acetylcarnitine DL 3698100.892 2439670.757 3338871.846 3632358.983 3264440.055 3420153.32 1970992.259 6533859.626 4180936.956 3237779.752 4813022.512 5321979.083 3055289.642 6111749.604 2485888.174 4550843.054 4043593.546 5541867.559 7251534.873 5430189.376 3080044.866 4365931.792 3777167.929 3460619.288 2220087.985 3524849.76 3730171.455 2373521.969 3961488.815 3160444.409 3084627.527 3285773.382 2114956.016 1948620.852 1794550.735 6061920.09 6918917.961 4247187.9 5528272.924 3623059.314 4117309.548 4330074.553 6565853.837 5092021.858 4212137.268 7537705.492 4507388.735 3816126.795 7097964.641 8404813.233 7319023.94 7846332.706 5246123.709 5791693.075 5899344.585 2940482.179 6431814.439 6361003.335 7629452.606 5298190.801 7161360.623 11881076.76 5547586.93 5455705.184 5203403.719 3630589.915 4412992.958 6305950.797 4773842.691 8586708.424 6718154.585 5160947.561 8920003.2 4065811.069 4153260.175 6290357.415 5894985.338 1935993.816 4375338.3 6901762.547 4905598.246 5144406.663 5258331.824 5653454.785 5356833.294 10140595.52 5990467.669 5980084.151 4218706.42 3015401.35 4979864.562 3323510.182 6811756.33 4064876.947 3022767.72 4419636.139 6151239.161 4408096.763 11900622.56 tryptophan 164693.4744 261703.8437 259887.8926 207288.2416 197563.3532 206937.0828 180978.6643 158377.1034 234445.0095 269148.0827 228553.9219 191080.172 262794.7514 150482.0218 117214.1738 239080.3832 286419.896 268323.6059 306111.1509 334239.8138 195702.707 189283.8393 265635.1012 250076.056 148195.9589 284375.7902 231054.4707 314663.8852 302301.1407 194719.6708 354802.1482 286498.1977 278866.692 301402.1764 150542.0392 382493.6045 252116.6421 273725.2907 340357.9151 190433.11 235906.4361 208992.4644 196117.9978 201141.7964 292374.4878 229260.5374 221085.4194 254162.6927 389727.5989 284826.9126 359583.0241 259446.8302 258014.2911 285006.2829 300617.0448 176104.3046 178508.3762 238405.9412 325715.6954 218237.3246 290188.6922 301264.3523 270030.0241 354243.3949 257012.0473 298356.4285 156674.7814 296498.7416 280425.4726 238492.2511 323293.905 332390.4686 282397.4775 327850.2976 299546.4058 369938.7992 226969.342 240761.1936 274769.7664 270553.2045 258002.2055 280237.4617 226605.3588 186917.1254 188519.4873 254566.3005 343389.4211 256808.1278 283799.9418 348856.2714 307709.9736 203659.6951 353701.2667 261499.6492 255049.9049 172636.8502 270607.5198 182053.9845 424442.8273 cytidine 115174.4782 324790.5084 436242.315 204407.4827 458196.5538 224689.2901 77061.59825 120307.1544 377628.0544 275492.4138 360650.1471 194673.2579 21472.72706 67460.36162 197213.2877 166647.7511 25027.55653 292232.8732 129411.9632 102857.7671 24060.19642 54649.38837 39298.34974 150141.7567 42385.53739 861.6728875 87213.11448 47230.81022 319901.1564 160707.6818 1462033.643 357866.5314 37063.9788 861.6728875 235204.4659 225360.9404 202128.4649 112582.7642 44871.10605 205173.347 157438.1195 216742.4191 181656.965 89333.20266 347971.8417 82234.35736 65166.07096 109421.1607 106302.1266 182740.4215 78261.65488 17867.96391 17860.52341 198375.47 73863.29943 23431.65415 64936.33721 861.6728875 229838.5279 251455.0878 314561.8586 240409.1356 185856.5707 175840.8784 61101.86064 22149.45245 155307.6496 344930.1084 29143.32958 30911.06873 43511.45944 85084.7048 40665.98029 22891.94526 314738.8089 404075.6495 256561.031 390111.0549 175372.9295 172816.8181 53687.07732 355307.3717 349886.9993 78653.57478 101656.0847 231701.3319 245446.3864 520333.4484 69102.23882 248888.581 131154.8303 120302.9721 9808.082911 259912.2 348573.0796 43115.39005 141845.1083 53461.20714 354477.2036 deoxyadenosine 89749.55445 861.6728875 5807.034707 70152.64152 101942.8788 44262.63121 62243.36226 96508.55216 71395.34043 76611.45032 51615.6459 154660.5162 861.6728875 64316.64017 96281.44477 123372.0458 861.6728875 27461.60922 54887.64065 861.6728875 146376.4519 28716.61482 40243.01132 36853.54823 123917.0081 109971.3088 861.6728875 136624.3701 861.6728875 305291.9525 63267.69058 23751.99821 19454.47934 861.6728875 88625.89522 13193.72931 42281.37555 22933.08185 861.6728875 96804.19498 92876.69446 52765.23389 22863.13625 130634.2563 79095.26369 11884.3803 18528.91527 164998.6276 861.6728875 57785.23174 67149.13784 861.6728875 861.6728875 28840.67567 40460.16986 90962.95666 861.6728875 861.6728875 21603.72956 42561.49767 38768.68144 861.6728875 64190.75706 26111.00962 861.6728875 861.6728875 161227.6752 28185.00249 36546.63932 861.6728875 861.6728875 861.6728875 20026.48393 55773.44695 861.6728875 861.6728875 69604.92138 129082.6112 44670.43075 58879.94621 110541.0573 81384.78403 43157.94681 138829.871 127888.8003 68831.34637 25880.72371 49046.70848 53175.43647 29181.7563 861.6728875 110079.7309 861.6728875 31264.86153 158582.9595 135744.6982 115618.3991 229641.9194 17627.23166 Glycerophosphocholine 715126.7557 811395.3693 524140.9035 1438489.327 2014342.009 1320172.642 1021504.515 1934663.202 2588747.636 2919813.26 3514322.174 2055960.455 314873.6821 768174.0427 1577068.415 3043873.616 2761430.522 3670415.82 2993051.735 4287416.493 2217359.916 2544023.898 2332104.618 2240100.732 1497041.862 1543025.859 2617540.187 3440916.542 2932722.132 2212696.481 2468421.841 2925399.417 2379296.279 1786736.79 2957428.893 3699219.302 3310754.93 595496.3924 2719651.38 1617506.089 2234400.315 3037150.114 1744150.022 1964551.066 2995872.237 2542693.916 2390354.575 2748102.735 3751522.78 3349226.813 2452876.134 3116436.919 1274666.226 4118140.291 416642.1795 2071975.502 2144676.011 491276.457 3880355.337 3815431.622 2048996.788 3346366.537 2625857.938 3728290.454 2750573.245 5277743.201 2512369.596 2602763.033 3030825.412 3001297.097 2425022.688 2912232.913 2662048.622 4432807.43 3336941.488 5390046.818 2979220.505 2135246.165 2625549.05 2015543.062 1500200.318 1930495.544 2768911.932 2425549.131 3804173.188 3365213.95 3126607.629 3880144.861 1290657.812 3800612.67 935448.4355 2011338.072 174870.0854 2057233.943 2707490.484 3142118.359 2072406.922 1761912.798 6097120.703 S-ribosyl-L-homocysteine_pos 35418.67658 18367.05554 11533.43687 13628.56518 17223.12256 16589.5341 15167.43186 15758.45314 14274.23127 17560.1771 861.6728875 22653.82131 20630.83108 15007.43869 62269.75981 32725.70822 53315.63127 24138.93622 861.6728875 18079.16898 28728.53191 39161.40675 12097.71917 23923.52074 16292.53783 37741.56566 30234.35347 23567.29763 18870.79851 19954.41128 18153.95396 16294.71416 38038.07171 861.6728875 15681.5191 18890.59949 27515.3077 11205.99992 18307.54621 17166.89409 19664.99644 18390.81751 39871.45868 861.6728875 16855.84195 42102.28886 11146.71393 14390.64266 861.6728875 41168.46133 10821.69434 21300.74517 18458.17617 22988.15618 17506.39483 20754.58021 861.6728875 29305.88013 14145.01472 30696.41388 22529.10707 17955.33486 16644.48556 861.6728875 19819.49997 13117.06905 861.6728875 7196.566608 12426.33017 22173.14167 15865.02765 12085.88978 861.6728875 27294.21972 861.6728875 17842.32558 44163.08724 21364.62348 37641.04991 17025.91281 34337.11147 19237.37815 15038.70415 24146.71424 861.6728875 861.6728875 11808.41807 16465.88156 14725.04307 22786.30205 20414.48956 861.6728875 27118.83697 39832.79877 861.6728875 861.6728875 13320.56235 20760.24623 17619.72104 adenosine 72225523.82 27736723.81 24070846.92 69481933.07 78242721.32 47453069.38 66717923.42 67114144.2 76234684.8 78994580.44 30678995.37 89851228.84 3091480.295 28959923.05 35972483.28 40856623.06 1603234.647 14856655.71 945417.9447 861.6728875 59380611.14 207799.6573 49209394.82 48266470.51 76829259.75 4136293.394 861.6728875 66108905.22 48462.48609 97217131.38 47834258.91 9953546.249 861.6728875 9836.992574 92287588.55 41477279.99 60856118.12 20882944.01 2307337.465 67116953.05 52808102.22 38048863.82 7067547.711 84317358.8 26053013.57 861.6728875 20848781.63 66966154.11 3492627.369 31877933.12 4338182.747 609389.6724 861.6728875 785714.8164 16871141.28 34011445.7 861.6728875 62571.60227 30915131.27 54558976.39 42972002.83 748519.056 50325350.21 12963048.32 861.6728875 2484662.388 97440943.2 47730043.48 28136693.1 4992200.473 1463366.286 15236954.29 5122476.819 803340.483 861.6728875 19757430.47 73342148.29 92870581.49 77363889.5 78877937.97 110173004.3 88425722.71 59972864.05 98908762.04 86256863.69 55403977.64 49466093.11 53950252.34 36220728.75 30270775.08 5364288.687 63720981.84 407485.8955 6157237.004 66635181.58 65897176.92 65757268.31 88251807.7 497597.0136 1-Methyladenosine 91708.53539 147875.8598 143119.9649 118627.2585 78349.53329 98284.93084 101694.6995 98453.57777 140578.5759 93152.13719 114813.0677 95586.0966 86127.5813 123603.9726 109045.2446 154119.5813 113125.2411 118164.8377 114342.0908 71264.17784 40790.53915 58528.0719 106992.2616 113087.7515 97810.187 37733.99622 120439.3325 101561.5102 123765.9175 106722.07 215615.6835 101738.1802 111888.5231 62109.42548 135618.0389 210421.3325 90548.26086 84971.47831 93578.06232 175700.1958 109268.0251 90178.27885 140372.7527 134648.238 123754.3886 83546.80541 121080.0325 97698.19247 139794.342 112726.7083 166743.5502 112719.1761 55294.75401 148812.6758 115108.3505 127748.1638 153164.5176 91794.87735 203328.9495 109776.0302 167620.0677 127262.262 144970.6716 141787.1503 113992.5833 153552.9998 102393.4761 160442.6122 102258.8617 152845.4027 137709.636 89947.55277 97458.09706 147642.7257 223649.2548 168951.2019 138964.177 91123.52495 111110.8439 76601.11906 128196.4714 139928.3702 286392.7677 133402.3256 65618.76632 140053.5242 102294.5049 116185.3175 198850.9888 191018.5822 87877.19795 114503.8249 90008.04485 155070.0155 143207.5322 177490.937 110520.5627 97695.16013 286831.4158 S-methyl-5-thioadenosine 75942.0014 90402.95576 81900.76714 79492.28604 80088.45794 84798.74938 63485.63564 93805.32777 41636.65092 113358.4855 142550.4627 20501.98032 63433.02573 76149.55271 74306.40219 78170.0695 31586.64419 41609.0717 64463.38389 69472.62782 85550.88606 69221.13437 82168.08687 122113.7084 85326.79441 57092.79039 15551.30471 62107.037 40436.71204 53988.62412 20837.23466 82713.95909 61475.74136 53217.73312 24548.45198 14330.35728 13440.42932 77220.35429 64495.25958 113253.9424 65558.92532 62370.79007 60904.29246 112544.752 59808.578 52385.76157 81436.09061 156387.7945 66383.29841 81312.51355 46736.31216 67932.64729 46118.18331 78915.779 59109.91582 95062.00117 73856.39242 42668.86216 63823.73766 59854.99973 98995.47669 41488.07313 77666.52243 60887.32564 60337.32922 63496.2987 59541.58751 49953.31046 106283.7118 64510.6237 33880.41026 64314.44475 52732.10597 112569.5124 19926.92257 29946.36781 45688.05369 23521.8758 861.6728875 17024.57605 29428.28059 28879.97379 46384.54778 17437.16385 12050.88071 861.6728875 8996.38328 22339.04357 75272.66297 82764.01505 56550.54949 74734.11803 57737.47098 81435.36922 52751.60664 93132.93648 104003.0756 126646.8847 52853.00458 glutathione 538569.9735 1214948.792 924069.2573 696968.3542 778011.1572 1073167.107 899122.5707 668618.7902 1085614.333 358576.0606 787789.7358 1282180.161 967348.7705 1404751.963 850486.7103 1026712.387 1066993.506 1388514.894 1405108.761 1446587.774 1037195.273 878509.1351 1037404.804 1087158.768 1055424.868 932299.7668 1413366.596 1421347.018 1371238.318 812095.6731 1103378.638 977882.6324 1329169.816 1226233.734 2122613.292 1871288.696 1323930.863 1392833.972 1082714.302 1405515.607 1672848.705 1151890.564 1158041.963 1074904.66 2285887.115 1767191.226 1656573.888 1410585.682 1332161.815 1832011.974 2180734.047 2105269.237 2337153.106 2039944.792 1237881.779 1370168.534 2117280.698 1225824.651 1566850.072 1217656.983 2469630.007 1633697.611 1526116.521 2011760.475 1796947.216 1480830.681 1567151.264 963727.6861 2267096.361 1538501.031 1514565.12 2188668.572 1328133.765 2585610.454 1802655.757 2138953.702 961977.9991 390823.8822 853531.474 906551.098 1114618.13 779444.8338 1759105.135 692954.7374 1170294.786 1713570.406 1289851.153 1475066.15 1190372.448 2060042.326 2131746.172 1137175.019 2786958.44 1860353.592 2212512.21 1485033.494 1826374.489 1289734.324 1699848.343 CMP 193272.2036 390554.1066 363251.9742 193192.0856 170269.4735 294331.0673 201096.2649 226136.1638 252794.1755 239675.8289 254923.417 273226.5466 356113.424 255008.328 181518.612 274078.1718 266839.1104 421187.6348 339098.8499 277150.2734 268969.142 270381.0521 310348.9701 290889.3658 177625.5837 275819.1978 303186.9402 258716.5839 326503.9404 187964.8711 498547.9498 421314.8022 313968.5358 42795.65108 223978.2755 394380.957 168546.2025 386639.2911 451127.6737 290998.1417 344526.7308 274226.6321 54354.58368 228616.8515 374611.6957 349228.5213 371475.4258 208917.0228 442636.7075 319075.8252 10345.75875 354373.5082 476768.0333 425262.8296 207738.4707 301792.5606 328035.2629 105438.3044 424649.9471 398888.4455 361239.012 265657.8601 271848.1999 426599.7254 351984.3376 235670.572 208284.4538 407508.6344 537286.1719 400498.3456 336507.0666 456558.5495 347469.3155 338754.2301 519326.0199 251907.6295 287826.861 256896.8813 229132.0337 297015.3143 181647.8331 228083.2197 250948.0868 113817.5044 20544.80623 187056.5963 274127.2954 176090.7045 455186.5039 366217.5066 454647.1428 346109.0325 326061.7868 330526.4758 434645.5881 365113.9206 373668.2178 291501.1462 436847.6112 UMP 242344.2103 530192.2668 479566.4478 293090.8384 244584.4724 384756.7109 282760.9095 263646.6565 235596.8878 294479.1867 355283.5098 336321.7385 407328.2774 343233.0252 238335.3025 450275.7116 392260.2831 421165.1348 408044.5546 235673.3933 344646.3473 347778.4177 451144.8686 433886.263 260439.2782 348216.3931 485941.2802 303899.0871 405532.0901 275675.3958 655787.9598 523172.7326 443226.441 254416.9944 305587.1433 364658.327 248457.2825 446995.3547 570514.6982 348817.0575 338793.4321 272835.9657 230214.7271 274424.6255 413923.8979 238270.9551 438230.6764 256567.5036 512703.6646 371890.9867 519141.2513 426047.22 597873.2283 465022.6513 295686.7137 235688.7422 382393.2484 262042.7426 573535.4722 454694.2507 365201.7336 223831.9202 395781.8365 533401.7105 532523.2501 311454.5734 253214.1947 479107.7482 485682.472 453573.7107 478378.3766 627825.9891 434046.133 416938.7039 763334.4742 321570.3204 309822.2673 343329.4444 406665.4819 428222.0099 194424.8519 250595.4506 333610.4539 126710.6603 157986.3402 253092.6178 464132.5683 155472.3859 414696.5261 436947.6746 567018.677 416193.6714 340195.1696 362130.4727 437275.124 446002.08 288924.6337 282737.2357 445410.1085 AMP 7783445.59 14086826.28 14005655.38 8605016.064 5256369.945 13392451.54 11038578.97 12248720.5 11434342.96 14116703.63 13234602.3 18406748.77 15940073.58 19043284.6 11385029.52 13464406.75 16302616.39 15497555.57 16240760.04 11307171.42 14220762.84 17284410.73 12596792.88 25710128.84 15147009.83 21511983.5 27522529.07 9731569.896 24681638.4 14219784.22 11990488.57 16455224.45 21707445.97 7757731.652 7156696.144 9678988.268 9515834.612 16131392.89 16069834 9763327.074 19542701.38 22101433.97 8116350.061 15793626.02 13748182.01 14334869.12 14606088.01 17800361.78 21376743.72 16710479.96 17411044.48 20364129.73 22865670.05 21470020.69 9044267.871 13323718.7 13716357.42 6423747.467 16669935.95 17995162.79 10135308.83 10525314.93 9213833.345 13077700.79 9677827.51 12091829.96 13732999.11 20182942.36 15804546.34 20438512.64 12579343.34 15320176.35 8624912.269 19317422.76 15520476.07 7577008.284 13025902.94 8020671.555 11876731.43 9370525.612 10172795.03 9617505.059 12014770.69 4475631.823 5831695.906 6625141.285 11692374.32 4516695.395 18330703.19 13430995.26 11479746.76 14366422.77 14257079.39 10720476.66 17407369.06 17005314.81 11216977.05 19903204.87 12167563.58 IMP 12859794.01 19897744.86 18850624.21 10334959.9 9672276.805 13849582.27 11180577.85 10996266.06 13259369.97 10885877.41 13889133.13 11032446.92 11989011.17 11213328.24 8437808.154 12759182.1 14013701.23 15627655.5 13081149.08 7018323.665 10331991.96 10765470 16469751.45 11874955.32 8187722.688 8167545.556 10603663.93 11866785.67 11599935.01 7327806.371 15624242.58 15997265.03 15371524.96 8076679.819 12332771.24 15674307.31 10377351.38 15535758.36 16459215.97 8236243.06 8596810.021 10071643.59 5165555.469 10882565.33 14485504.8 8343075.994 15563153.78 8251558.097 14613229.04 10750968.19 15388136.46 10139286.77 16622210.72 19328260.49 11982607.92 6225047.488 8425493.618 6007284.896 14357729.25 15392277.69 9415495.813 9195561.824 9952610.063 14454659.81 12320214.51 16895519.25 6142491.385 16169266.75 10640585.53 11721957.49 19569562.07 17527142.3 11801777.47 12496375.1 22260436.06 17370871.91 13913384.45 14812880.06 13665630.15 10831530.79 6953438.685 11284333.79 13489913.35 6513549.523 8989047.844 10280019.7 15516522.54 6863025.765 13544989.25 14668766.12 13975748.73 10852342.8 8407461.016 8610544.275 11567848.76 12355915.16 10085773.65 8913608.057 19986688.33 GMP 2112601.191 3792199.497 4705639.96 1682859.291 1671002.183 2725486.087 2308406.053 2368954.127 3044807.706 2697660.552 3892175.828 3064788.053 3692758.651 2905134.62 2377556.548 2950420.612 3631700.174 3439623.77 2600066.293 915781.8968 2554269.479 2749383.283 4228386.673 3774920.334 1924132.825 2077707.478 3314546.473 2048191.665 2985179.518 1976869.596 4270175.996 3867190.394 3428751.255 1692434.902 1459826.156 1546240.614 1259214.267 3528739.383 3826548.067 1933254.238 2524900.284 2970880.953 1253540.881 2268453.954 3036738.025 1245364.007 3379547.718 2028708.635 4010637.897 2189540.65 3475474.519 3162003.059 4288251.835 3414168.792 2074108.84 1546097.174 1801528.691 1687786.289 4162105.012 4677053.44 2047576.622 1087735.134 2290343.271 3183532.589 1794590.853 2125647.568 1712079.61 4528646.992 2912989.938 3212769.87 4189335.201 3478707.127 1802079.106 3088106.873 4710679.39 2358083.243 3070027.944 2358519.477 2829887.092 2369256.735 1312104.48 2290151.272 2459061.622 535845.9065 1474353.806 1308602.255 2753847.959 621055.6251 2927501.319 2532248.417 2468050.816 3064299.405 1516577.513 2169634.401 2655058.006 2756326.14 2020799.126 1698265.33 4164924.794 S-adenosyl-L-homoCysteine_pos 65072.60926 122176.4837 182780.3237 70415.49137 44780.3821 70653.59139 79353.01835 61476.52545 119166.1518 60230.06106 60869.90459 54180.57623 72660.93915 81636.27563 50945.47421 75817.39271 82945.61216 95743.7171 22657.16048 107275.3306 72170.03461 78338.85744 57994.33436 60409.46727 39404.00022 61857.5033 99575.18036 93164.67547 110535.4053 61561.09839 107318.2622 87579.8581 57332.15711 50838.30723 122436.2858 221997.5684 79416.06114 109179.2421 88330.12111 49437.54004 69858.27053 51127.8296 94670.29366 75909.39383 108610.5638 67876.79572 107615.0878 56900.37125 95936.12013 103862.3668 70254.03648 57513.63873 132359.9738 112607.9466 66133.78072 46547.58006 99722.92516 42891.97142 107935.3173 122865.3418 131213.6851 41730.81229 67497.96143 84573.96678 103841.9732 105420.0662 65632.27205 86578.97716 115901.818 119597.0839 101455.3035 123307.3128 91908.21148 87309.9104 111874.8329 140794.0293 69686.16957 79733.33462 68867.08865 77248.17889 118887.8549 70013.86797 94833.40801 57460.3296 62123.60075 97724.68114 86871.17013 82272.40564 109854.5428 107506.9994 165645.0918 64818.6025 141173.7771 100197.5624 102726.345 83280.72896 329177.7535 50481.47699 112957.3766 glutathione disulfide_pos 861.6728875 44612.96047 82607.65746 28742.79892 861.6728875 861.6728875 36138.23309 861.6728875 55068.92203 93077.05092 861.6728875 67150.58001 861.6728875 861.6728875 861.6728875 861.6728875 64078.76894 62431.66073 50174.53545 45562.58516 861.6728875 60162.35053 53981.41399 861.6728875 861.6728875 48491.0744 861.6728875 86961.44689 861.6728875 861.6728875 89383.40039 861.6728875 861.6728875 861.6728875 861.6728875 73816.48046 63596.33696 90232.9916 85456.62547 861.6728875 861.6728875 86463.62568 861.6728875 52747.42784 46847.01651 49332.61649 71494.39325 861.6728875 118284.7302 861.6728875 152221.5333 98956.79781 112077.8788 861.6728875 861.6728875 861.6728875 114222.6732 861.6728875 107884.1057 62855.39994 44596.65761 107402.1319 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 38577.10662 149087.7189 99549.11302 42493.82217 92963.52777 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 93712.86842 861.6728875 107855.9493 112641.2164 181523.5978 60479.67864 108355.75 861.6728875 53261.69726 116196.9856 106203.5623 107214.5477 73846.65424 NAD+_pos 13808.92537 18427.5066 7425.355375 861.6728875 861.6728875 26608.58218 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 48819.09732 861.6728875 29051.84176 55576.72193 47307.49171 47670.64824 28330.65311 12642.33703 104858.1179 861.6728875 861.6728875 861.6728875 861.6728875 34468.44276 40566.32552 85195.47502 50844.98646 28511.45775 861.6728875 11726.5745 11961.89113 32668.8231 30085.90418 51116.22052 52041.48972 25559.44319 28018.90589 24619.78871 23607.23463 30401.67987 861.6728875 68920.73581 38673.15745 35869.07675 32891.03154 861.6728875 48082.4565 861.6728875 22565.12356 14991.05413 37619.86223 19747.95319 861.6728875 861.6728875 153168.6492 75916.86822 861.6728875 15624.29524 861.6728875 61971.04454 38554.14023 861.6728875 861.6728875 861.6728875 119629.8024 31915.56617 861.6728875 861.6728875 36263.44468 32866.93631 861.6728875 23112.04879 43375.13208 861.6728875 124999.5435 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 32696.58648 68113.44701 17601.82546 99528.48177 861.6728875 213325.8536 21406.19792 18728.36638 16995.45296 861.6728875 146079.1352 85409.17098 5819.783288 861.6728875 861.6728875 39082.51532 51432.31865 FAD 13547.59234 19774.17111 17638.45143 5299.222449 1723.345775 15420.77545 13598.13029 9311.345668 10432.57429 11178.69421 18342.10043 17698.66819 8072.775917 5001.814814 11574.41781 14761.98638 8702.821355 29133.17538 6689.597358 12727.82673 6015.195839 14572.97918 19668.55765 24749.37817 20207.19159 12581.58923 5183.851693 6832.393391 11681.38349 9970.77866 13734.6808 19674.92339 12678.33307 10643.04227 13634.22184 18890.83098 3057.876477 14772.84184 23389.77782 861.6728875 13659.65613 15193.20917 5906.137813 4220.307838 7612.376049 24340.18301 13236.75298 10634.71276 13618.7325 9147.816229 14285.90946 17865.56782 20824.30076 12411.76234 10557.36 5356.228874 15727.72658 17545.90215 20098.52651 24556.39387 6142.178088 7543.215301 1850.279615 22357.61183 11558.72033 16547.46113 14050.02517 15888.99715 10252.98666 20159.75044 15877.77389 21438.53995 7988.532609 15352.57367 21829.95182 14990.77248 33598.49829 12148.77899 8606.475597 19579.08086 16617.60278 15754.89982 12425.52588 10730.86036 13716.74558 17208.22852 21931.43651 6469.799569 12460.68757 21669.94257 18880.08408 23410.88824 35197.90819 22805.44141 14630.26558 8148.098816 15471.63018 3632.790254 28523.20568 sarcosine 600445.4939 911889.8253 1029411.563 612015.6795 525314.1532 700459.3321 408930.2071 472352.9245 783790.1126 661714.618 441028.7538 447180.5818 808467.7707 610504.479 585250.9211 599468.2094 575956.7553 854618.8124 630677.6827 724475.6287 485090.4754 922715.0957 679015.4029 539025.893 551964.6916 552953.5024 574372.9912 632735.0798 794219.3965 704954.6933 769673.0586 742074.4604 598751.9566 712840.483 770115.2126 847499.154 896181.4271 792244.2129 716365.5145 626035.1686 640671.1324 616679.9073 836665.3335 467424.1668 1037521.652 875078.2392 826111.5701 519256.0475 735059.7065 767848.1366 1099615.002 702462.3288 920471.6127 560770.5545 730284.4923 569972.3548 816365.1446 914595.6111 651603.0607 827573.2219 927014.1283 1056350.931 925831.2383 868583.4283 999139.0909 816628.3255 504547.3512 728773.4323 793206.7345 399136.3215 843621.3075 1019066.226 832890.175 815636.8509 1158134.964 1260332.68 709606.2257 723780.8554 587898.9087 638891.8666 559765.7219 653766.2236 730683.6682 690221.6208 599191.8875 695827.0462 915007.7694 972122.6898 686034.7947 991562.1222 1069524.538 492791.1752 1088494.93 814903.8136 670341.9686 701576.6043 674387.1052 525953.9529 1063552.233 lactate 4329678.925 6968977.05 5143109.987 6770341.839 8345777.973 8004998.81 4451091.824 2781748.491 4503504.105 4812427.224 2224603.993 3552144.455 3956087.634 6031363.026 4038570.425 5990328.423 3486274.592 5653721.114 3842284.439 8096219.697 2776354.409 4113990.521 6541186.503 6794342.37 4256511.775 4824121.395 4640121.957 7983174.023 4735133.234 3460062.106 5165923.69 4997058.928 3644037.224 6855250.236 4843391.504 6386362.811 7892850.273 7793139.433 5961011.405 3938697.084 6014529.98 3339425.53 3904194.401 5190642.555 6264331.639 7251920.065 6655861.773 5657781.728 4326037.323 3908566.832 4815081.329 2459695.596 5963998.167 4760974.895 5969929.008 4155279.716 6386588.163 8622092.714 5330403.276 3758105.723 5782477.153 5264781.584 3825989.527 6476860.916 5303867.612 5855913.494 4507979.367 3272988.347 3827297.192 3572477.673 6161146.291 5851209.03 4901333.141 7154086.956 6831199.501 8038356.455 5469494.597 7142380.619 2746617.516 3644366.068 2577582.456 3001006.825 7362127.143 3990795.99 5342529.44 6837482.299 4295115.024 6524137.198 5838587.996 6613064.106 9094332.751 4806877.842 9979055.49 5282204.264 5960878.598 4733592.359 5020691.961 3161707.108 7215852.48 succinate 448624.8938 698418.2799 486562.396 813185.7149 589185.6042 630199.9525 608963.6734 717585.9896 481365.889 926633.6566 474510.382 505843.1887 563640.7995 565857.6328 1320965.154 284431.0254 394300.7936 442030.2958 535013.0677 466189.151 588080.4264 519465.3077 524056.7568 601023.8991 662502.9441 878993.2872 833087.0653 495863.2593 678951.4988 584799.3125 154181.4219 478423.0237 798274.1322 573876.0591 371501.7309 453440.3262 606715.6896 640168.8133 534013.8675 524026.7442 703458.3356 334898.8781 804539.0046 477676.914 499893.1515 563943.4465 472354.5709 513473.9537 319881.998 476993.7777 238837.9987 604249.0519 361223.7905 861.6728875 582295.2495 545995.8082 572472.6973 788669.6287 861.6728875 401851.5238 485125.0589 706077.773 86778.1861 602837.0372 389769.503 594839.4559 434163.9443 347659.9796 297492.8164 304441.6695 474905.35 345427.9697 419863.8966 449525.1616 337891.5124 549439.3383 721470.719 609679.7266 273631.1079 384614.0184 798599.6417 562653.7319 321744.2512 344325.5715 415244.8571 388993.634 268585.5906 446334.29 532786.5182 398448.3033 677397.5505 676286.3403 726024.9075 544979.265 358495.5695 376415.3087 432118.2964 710198.673 435504.5321 nicotinate 282577.2398 263152.9432 359421.5749 173373.1331 34324.67963 228217.3644 182896.5204 167636.3077 93084.6151 202961.7026 67622.14934 13697.06058 570260.0516 447270.8019 200542.7665 54350.12757 182382.9149 95724.12765 141350.6437 68833.06547 475289.0705 262485.1968 322539.5475 157421.3136 423680.6964 903129.9893 120090.8676 293153.6975 861.6728875 87502.30282 35319.59813 39194.69914 179027.1092 691659.4946 28862.15034 19615.49406 861.6728875 345018.9233 286772.8857 154480.6038 101385.0657 10832.52473 36052.80631 101461.5759 66392.09464 104588.5041 202304.4892 91688.90181 140353.465 56658.85546 265218.4058 317047.4576 257753.4788 127919.2997 393418.7665 164281.9686 157620.4999 704807.9934 77971.03077 97265.21185 57947.82702 74572.29289 155028.5335 142183.0954 204005.6735 342017.5093 125903.6897 74858.78974 330441.229 194861.8771 430320.4832 115276.1397 139186.5239 126942.3551 21715.22212 7588.734748 375361.2329 30895.5718 123731.4791 67638.26453 150864.7385 49293.5847 35066.40404 62883.35363 61068.74554 15536.87433 41058.01443 21700.42187 373591.8716 22651.14169 350448.911 198901.5896 726337.6455 94588.61254 136971.1521 232168.2011 173158.6203 148610.6223 18997.27616 taurine 71445198.91 59831539.42 51078654.37 65409720.06 69715399.45 64608080.78 70035286.06 68394585.89 57616765.76 63047674.34 76452030.83 59500731.95 71401224.99 66029423.23 78273981.31 72693589.39 76161078.5 74520049.02 74438519.49 70928758.25 72512449.82 76819077.62 77071498.68 54427546.46 65275432.79 69218128.2 58150489.46 66618690.79 70346398.21 59653601.3 60737475.71 72343106.79 76141896.23 82236062.25 69252771.45 63646811.65 67597706.34 58666168.35 73746373.79 72110813.93 63835466.03 66483334.75 81017449.29 68991978.38 65226961.2 63958876.22 71438025.06 64214895.75 79047766.42 72756832.56 67947819.22 73678844.19 76462187.85 79272565.7 68532344.03 73616060.59 70576633.22 77976585.58 74552216.96 69183370.66 64470362.08 72596636.23 83723053.13 82789912.96 85693321.04 80637439.84 67555817.92 65938526.67 63364872.31 72708817.94 78165799.44 77208643.03 87630842.85 76011978.36 77741292.53 78583764.33 66789090.82 66693709 73971779.73 71647186.01 65552482.4 68363833.64 62483274.03 75007558.65 73292439.97 72709220.98 64533689.32 71277194.82 65001312.11 63254028.3 63125399 66418123.93 62285232.8 75214425.34 54945321.08 70488517.1 58220901.93 55457671.85 79539805.95 Citraconic acid 668399.4594 505083.8909 722580.9598 587018.0328 1183427.566 584535.0333 469289.3645 776663.8418 584637.853 728858.0101 1036670.367 541315.8272 718153.1142 514026.4244 737790.5007 432439.4628 866182.4742 654649.1033 805960.8656 442893.3522 834630.0633 746969.0754 492134.0046 690191.0208 593875.4316 805538.8125 609977.1448 549643.5736 1154419.282 1080668.186 905568.1912 499562.4118 872172.7635 424709.8262 546160.923 409869.171 515789.6188 411639.0165 586163.223 329477.0319 640368.4382 382539.2864 330080.5293 417204.3746 703399.279 979549.2957 599356.7112 711910.0879 410568.4567 518640.8743 764822.3177 483181.1426 435088.95 593250.6472 1187867.623 491020.7663 638368.1454 583591.7975 293063.3266 467282.6997 689891.9192 529025.7964 353497.4716 298467.6618 429583.037 595491.4525 386057.3101 557473.1734 476171.1085 552171.8451 480983.7224 405915.9496 288262.9191 952071.3181 551724.7892 337094.0137 723727.4843 895370.2134 517993.9626 536974.4704 1055974.366 724731.2843 683797.3208 511504.7836 619164.44 442853.0027 255991.8368 416619.4112 455383.6412 577939.581 471490.2643 763804.6957 525923.8612 602927.4871 878646.624 490745.7917 556035.202 424332.9499 255550.6589 malate 687395.1263 1648240.841 1542270.575 1225956.816 1531930.839 1336645.474 687187.1252 1228833.302 1367301.916 1520582.438 794678.8528 1660315.262 1057359.009 2104415.771 647314.7124 1223762.526 1581608.882 1113171.44 2260791.272 2594894.342 1033486.081 1505931.005 1194366.984 1276241.525 994864.1858 1023967.634 844060.007 1156112.767 2212613.076 1863099.128 1289285.822 1557387.71 1695204.635 347519.0123 1243736.218 2531018.637 1896857.923 2070147.211 1795314.34 458725.4266 2062859.264 465183.2614 538977.8985 1447155.101 2181107.328 2466827.26 2030773.882 900183.4457 931906.882 1313048.656 1064913.4 854473.3291 1472074.728 1439323.014 1259057.077 962733.9365 960821.5529 159979.9746 1364551.084 1159565.158 1724544.472 679261.3782 163140.0315 694589.0423 523979.1325 1186789.579 1164206.41 1053876.313 1466735.082 923599.1697 1769327.914 777271.2783 878634.2208 2425500.257 1154588.441 1271601.636 1613433.502 1205242.125 558589.0919 901724.8252 614675.0537 539907.5274 1404501.654 1057111.044 754831.5749 684828.733 1761173.662 1219623.945 1455019.493 1857861.753 2496891.678 1460314.569 2119086.717 825672.339 1997894.518 1016034.099 1100862.689 543469.4962 869733.548 hypoxanthine 5551006.77 6263083.756 8989170.419 5678308.202 4858757.981 4108871.548 5202724.913 4822022.78 5135230.906 6423581.572 6224940.905 5672906.896 8257008.079 6606947.434 4128198.259 4605388.591 5818767.317 4931000.412 5660707.143 4513121.994 5119974.483 5996323.5 4706610.939 6726640.601 4142143.769 9639150.396 14124761.38 4458686.854 6725108.411 5924110.206 7985009.771 6098044.888 8698719.834 6201306.286 3772235.302 4870244.996 4119431.545 7164155.219 5263301.304 5420023.954 4536863.74 5628018.012 7644878.899 3375136.579 5709324.669 7761561.407 3447866.761 5895171.748 3758321.263 4203614.883 7713478.025 7012529.934 4903974.257 4747029.953 9319721.617 4305532.156 5372058.203 9161649.291 4138991.149 3969136.656 6630351.664 7977827.369 3336831.351 3270467.883 3541722.559 3761593.274 3537779.069 5089495.325 3724568.248 5026404.214 4723252.653 2972373.258 3051164.739 5125216.398 5550557.074 4330101.398 5259490.09 6312717.067 4172849.668 4082873.988 5569607.149 5244222.793 5024374.844 3264897.425 3856152.383 4446943.032 4504013.216 4406830.022 5480024.212 5074692.758 4710492.439 5184820.806 6872836.51 4222396.384 5555448.711 3769655.113 5022169.53 4144338.581 5006286.174 anthranilate 78333.39632 98737.42051 142472.6894 93645.20341 145323.183 154677.0406 72933.60668 861.6728875 83679.63563 166784.4488 127658.5683 108638.2784 182037.2206 88600.79453 89253.10205 71001.76957 146401.4645 78923.81561 74310.99212 84754.61682 74570.65014 116384.0062 108124.0837 176503.7392 74514.63217 201345.3323 220785.6862 861.6728875 79551.40077 122063.7502 181930.1986 93724.33962 122736.091 146356.9577 59885.68526 89511.18789 90880.10508 133512.0118 111419.5197 74050.06792 60292.30531 91800.92422 149353.0533 86073.1951 104450.2462 95724.72465 108037.2679 121184.462 861.6728875 114931.7641 110784.9575 113253.1068 164255.1062 91972.58123 190518.5141 79923.23277 89919.86602 217456.3514 68105.43649 79272.4953 124082.9741 103991.9629 87774.65559 134708.2825 861.6728875 861.6728875 78474.50866 111840.2814 861.6728875 85546.72606 134554.1917 861.6728875 861.6728875 102204.7883 118274.3904 89803.3478 861.6728875 131586.2619 861.6728875 861.6728875 861.6728875 861.6728875 110832.1548 861.6728875 69210.98959 91839.25801 70529.14598 76516.65719 89272.08685 107766.2584 82373.82566 73946.2479 81890.1833 79487.37184 115200.0394 861.6728875 78183.94248 74161.84867 861.6728875 p-hydroxybenzoate 861.6728875 861.6728875 217023.0828 861.6728875 54338.07322 247122.8086 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 181862.1499 861.6728875 861.6728875 114848.2945 216100.4136 197365.5458 199686.7628 861.6728875 861.6728875 861.6728875 99102.84117 48757.52203 861.6728875 861.6728875 861.6728875 106413.2958 205077.8764 861.6728875 861.6728875 861.6728875 861.6728875 289854.6982 861.6728875 162531.916 861.6728875 861.6728875 861.6728875 127778.6876 106642.1384 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 124724.838 861.6728875 163685.7979 276367.2431 103927.7957 861.6728875 861.6728875 164484.9272 158481.6751 161526.5896 115909.4092 240809.2998 861.6728875 861.6728875 861.6728875 147244.4831 861.6728875 861.6728875 313751.9765 143975.7108 861.6728875 88847.26671 861.6728875 96010.55778 146012.2537 156535.848 158132.607 268383.5745 311869.5956 105853.5973 861.6728875 125916.2607 861.6728875 140326.8177 285424.3207 309880.9422 185673.9077 220062.0296 861.6728875 861.6728875 861.6728875 108615.7361 205007.2516 148599.0524 861.6728875 80169.01723 87764.05685 861.6728875 229474.6282 182877.977 861.6728875 286132.6627 297453.528 Carbamoyl phosphate 1701258.795 2177724.372 2356940.634 1824096.068 1538780.73 2012851.072 1534738.453 1831940.102 1878460.357 1856182.505 1889745.062 1720307.707 1907606.035 2098192.472 1649013.299 1839439.226 2030737.099 1959462.33 2287616.293 2712247.785 2298562.792 1799541.896 2219161.502 2114525.906 1903438.28 1604547.123 2151632.812 2262290.188 2659525.62 1910783.215 2830179.748 2074010.673 1860633.811 1437177.837 1977986.639 2625927.871 1842669.173 2337650.585 2487167.367 2174449.198 2627818.52 1766323.591 1193283.804 1917123.459 2813406.246 2494371.832 2539608.351 1730037.174 2188386.225 2143644.083 2741195.787 2801042.3 2865757.054 2539694.397 1740685.363 2017535.06 2422104.689 896117.4249 2305085.352 2912712.92 2171885.077 2036426.301 1855675.288 2439229.468 1596270.061 2483865.028 1908211.717 2265696.108 2465847.107 2510516.531 2340177.522 2141055.764 2046822.554 1942299.59 2195517.365 2105677.07 1309089.798 2029855.951 1570654.822 1684768.203 1453214.687 1713788.285 2178399.323 1898118.913 1318302.24 1912071.823 2589456.075 2099535.679 2655557.745 2540211.919 2656907.213 2480183.816 2596892.316 2312134.463 2809154.375 2681062.592 2400815.986 2023560.43 2771426.004 a-ketoglutarate 861.6728875 622742.475 347008.1629 216359.7791 861.6728875 277963.3276 861.6728875 618663.0918 596009.4977 548885.9196 861.6728875 150009.1198 861.6728875 278766.1883 545016.7575 861.6728875 767213.8499 861.6728875 193168.3818 413197.863 861.6728875 872666.9375 861.6728875 421463.7799 628504.6939 1036754.347 861.6728875 861.6728875 861.6728875 861.6728875 173095.2829 861.6728875 861.6728875 861.6728875 861.6728875 553406.7675 586488.2688 540352.5818 861.6728875 861.6728875 313379.6367 680387.3473 861.6728875 578315.2586 303582.2999 425200.9626 861.6728875 361664.6556 606279.4925 861.6728875 300364.5429 467039.3035 558417.3924 861.6728875 861.6728875 444132.3964 569452.3205 861.6728875 861.6728875 629340.7719 861.6728875 862572.0981 861.6728875 512096.4127 861.6728875 861.6728875 861.6728875 553493.5464 861.6728875 580424.2704 138677.4392 861.6728875 199388.1275 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 732981.9562 861.6728875 861.6728875 767247.3379 861.6728875 861.6728875 861.6728875 861.6728875 508680.2473 861.6728875 524592.9926 861.6728875 861.6728875 861.6728875 280874.5699 861.6728875 861.6728875 861.6728875 657464.9157 618795.7896 861.6728875 Phenylpropiolic acid 193941.4966 195760.9371 260763.3479 149041.0186 258351.1697 151243.5475 210444.3548 122745.3853 120652.5584 189546.947 140585.8003 152733.765 104319.6209 171132.9535 861.6728875 861.6728875 861.6728875 112834.9039 193915.4382 153081.441 256822.246 171525.2459 104440.5915 240698.6624 146071.9673 178997.709 861.6728875 162856.4976 177905.6581 186155.6287 134418.6773 151636.8247 167312.1662 150471.112 119148.9604 201808.6184 327333.6596 200654.1999 144897.9818 131996.885 173075.8262 201778.9731 861.6728875 119378.096 241142.3593 283146.6052 330722.2391 115912.8117 176770.0567 134671.6851 201800.9757 241815.5833 311235.5065 127762.6783 116063.5034 179012.5001 238790.9271 861.6728875 148153.1073 267748.7562 162252.318 305461.1481 157287.3437 230468.7476 260458.6876 232254.2796 128448.7904 155539.5308 315313.1144 225546.2347 196521.0343 178492.5076 212251.3321 147799.5251 209796.0653 230000.125 861.6728875 132917.2626 861.6728875 138526.7628 273909.5784 861.6728875 232782.4733 286322.8919 133752.7273 97869.81183 144659.1136 161529.8342 148684.7628 214197.2209 186883.9822 161722.4905 115609.0354 185685.1562 227448.5201 341198.8561 235842.0823 264584.6774 209116.881 2-Hydroxy-2-methylbutanedioic acid 139523.2947 74742.36348 112151.5654 99982.16044 106586.6833 183070.2791 108347.4963 99500.99835 208537.9597 64745.45783 96796.1558 69354.5511 86730.12582 122585.9872 861.6728875 160398.234 192692.5151 112755.5585 117474.4309 88109.62951 156842.3577 125375.8458 159889.0905 59523.10303 57576.39455 77346.36694 220666.847 102743.7261 173493.9942 117951.5367 157854.9217 136343.5281 121520.5639 165311.3247 335178.9416 175240.4243 149671.4762 146681.5853 107579.4295 116963.1908 168718.6582 105506.0831 174104.4541 179908.2468 125067.8081 83405.55526 208998.2391 136097.5996 152508.1366 105093.1577 173109.9321 99703.45274 148650.5857 78465.26323 143535.8495 148542.6261 146031.2106 49492.98454 121744.6498 144900.2931 125799.7135 72059.2335 175496.8545 160144.6029 136358.6599 119198.6425 101684.2922 165029.4379 13363.42782 167551.7817 163782.4432 264433.4467 278064.5466 128756.3029 204414.0976 196125.6001 79662.61984 109815.3067 124122.1356 122546.7233 134740.4599 161505.0921 82599.86292 258357.6689 157166.1013 155610.8869 131759.0813 133916.6909 100264.0049 241426.2525 207768.2893 184500.8322 136345.0615 223126.4991 147311.1617 352377.5656 74235.54112 85940.85884 198839.3158 xanthine 830312.4749 745049.1262 827517.2694 674404.2043 640867.8776 536528.6939 910238.9103 558567.2898 272429.6161 504745.991 1135197.627 173213.7501 4069534.849 1700389.215 1325393.518 1065299.164 2112275.86 873075.4706 1592487.048 999733.7286 671997.2352 1547041.765 472382.9976 684467.5048 594701.2031 3624715.378 4797347.562 581488.4886 1439707.701 511463.0778 861.6728875 595493.2636 3215252.545 2485856.189 861.6728875 861.6728875 861.6728875 1374956.331 1642406.23 810866.9339 642295.7845 1024912.683 2440079.483 404843.0522 996667.047 3125500.931 522117.2334 627581.7757 1126028.083 1180570.403 3361497.079 2206338.271 2153213.493 1489095.25 2753568.131 729858.5124 1299656.612 3271079.309 211086.4199 861.6728875 161895.235 1522464.62 428852.652 503181.1849 849633.6874 1490728.859 180199.0612 261820.3451 573348.887 1346570.138 1111446.669 542716.5783 536414.0973 1505442.233 1438077.824 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 1343429.622 1641140.688 1708770.171 542659.9738 3624225.072 1269389.605 376973.3017 524991.4605 552240.3772 488724.0672 529478.6127 orotate 131886.1924 110089.7149 103233.108 861.6728875 861.6728875 76221.38612 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 105746.1699 175537.781 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 99051.1301 861.6728875 861.6728875 861.6728875 861.6728875 179152.226 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 44820.46359 861.6728875 97998.27506 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 63717.8024 861.6728875 94233.52975 861.6728875 861.6728875 861.6728875 284581.3521 149247.5729 861.6728875 250926.5509 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 109276.1268 95238.81835 861.6728875 861.6728875 861.6728875 62347.54931 166594.9722 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 54934.56821 861.6728875 861.6728875 62879.20215 861.6728875 138547.9853 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 Uric acid 380006.7611 458166.6604 418049.9021 418221.7262 369939.0021 548809.5826 442298.1037 318050.4572 118021.2288 416579.0581 832945.977 152629.0133 2335654.822 1454502.387 640768.217 491443.8194 1056337.793 420162.7872 834222.9602 473096.6263 622220.6864 899129.9943 296419.3463 342512.9118 331822.2617 1614927.454 2052066.255 242074.0381 971550.132 302165.8716 60691.08904 304129.0714 1169826.857 946926.8619 157729.0782 76904.63041 60369.02035 829877.2075 912855.1 451765.3807 374535.6989 482923.0824 996625.3238 154706.4479 854717.7086 1647136.277 325243.8596 687605.8873 560097.5318 802351.8714 1442802.31 1262929.582 608598.4485 623967.8377 1337048.065 395057.9902 633575.6923 1075208.29 94773.60851 285720.3027 306470.2305 940164.2713 160934.559 75120.97704 236441.4655 790654.3914 263577.2634 229137.8711 552526.8173 659257.847 555964.0913 116851.0258 209420.5551 731425.484 447584.1165 104280.7226 111530.52 75608.0628 95755.9762 140001.9482 226366.6802 133575.5207 143254.1877 92944.15061 156011.4526 82622.17015 88617.38042 61224.2914 869163.2773 981183.2894 1226252.312 319379.8492 2066421.924 949016.3216 180929.2375 332307.0866 364455.2856 420823.1523 314430.7001 dihydroxy-acetone-phosphate 356458.2625 489917.3467 836069.5837 428631.4645 320029.3373 317379.4521 387179.881 481555.4537 466719.1949 470774.1961 657766.8358 722749.6226 567029.6851 430889.2617 206695.2411 314178.3598 584367.1232 530351.3834 598324.8914 81763.49863 528526.1895 715880.7775 509890.0249 1093715.815 478395.9007 480890.5204 856477.8607 452384.7582 942153.8015 558889.5347 496219.2858 466371.2477 743194.4798 150957.242 260270.8168 460043.9123 332723.1079 415183.7408 474504.8676 277826.1829 708409.0849 563853.9402 104866.7543 608767.6128 690236.754 561213.7141 513539.7855 566655.9736 697780.5144 693200.7871 926511.4589 333244.8441 587269.8876 550473.8806 334955.5442 130135.9959 278072.3851 68750.99961 543627.6356 735032.3949 391147.2013 277154.1142 90091.48626 304613.3278 288856.4845 425429.7323 428187.9956 717664.4245 390816.602 352866.1906 522043.1129 346397.0811 224590.5239 602959.2363 568708.5572 193803.7454 312237.4448 600430.7721 478428.4884 373777.0721 699422.0331 620209.8688 384497.2746 132632.8094 191171.5187 150195.1516 336691.723 861.6728875 302165.2255 383528.3913 296272.2071 466340.2035 212906.6724 190708.585 1030601.909 832428.4497 480353.0895 567639.3795 385519.6263 D-glyceraldehdye-3-phosphate 337785.2207 595656.0054 875275.6795 382423.1746 416259.6222 318813.2007 379010.2443 469882.0732 505927.6444 588292.1165 434786.1113 819072.367 509040.4115 376912.9861 861.6728875 314568.1825 531157.5758 589241.5458 679270.2821 102758.0711 609921.8483 798273.0099 415716.4599 1054911.033 449383.3515 472900.1439 1045484.395 417729.4977 863351.4668 788457.6885 481044.1144 444248.997 705615.8194 137939.8738 237777.9012 397251.9748 338885.5186 416726.278 507656.4064 256129.6196 745222.7308 662682.6265 861.6728875 535133.4554 756595.7018 490724.0595 663279.6113 588819.9072 627316.5326 701504.8528 996253.7244 327014.277 621387.5935 508926.1037 339440.1655 84313.86524 228131.7075 107334.03 546013.205 761563.7672 314047.215 414358.0698 162225.8046 428084.6206 371245.0088 445768.8453 453044.0035 743641.0504 452991.0537 398249.544 631636.2347 314497.8548 195351.7243 484174.2512 449993.0774 211037.0012 427093.3636 509898.8296 455794.2957 416663.4313 611814.5777 632467.8158 415956.451 144918.937 289412.0655 174807.2947 337714.1953 861.6728875 317158.5568 404633.9031 312103.0209 553477.1089 186941.794 194921.2122 1118956.11 926087.437 574977.2441 560953.7023 399825.4704 shikimate 102073.9376 175061.8961 315101.1597 224384.7788 141011.969 45324.82132 362021.069 340185.0839 281974.8897 307295.4283 87195.73794 230302.4862 179130.988 109262.9629 105985.9743 190041.8246 154247.2936 66242.59193 49103.75718 162559.383 232979.6064 195548.4161 126430.1713 134209.8107 131633.7214 352072.0046 192397.5211 137908.7524 211353.5269 97928.76607 122602.0429 126227.0874 129721.0422 259447.084 234222.1569 364880.1855 280923.2906 219832.1548 310312.3092 275919.883 236876.0106 140346.6255 319049.3868 134612.887 153184.827 125778.4987 185289.1043 158064.3059 106785.2544 129447.7201 171869.2771 237896.0223 141525.5042 161916.3008 175694.0229 443873.3771 341321.3014 255119.7402 191658.0221 156738.2295 64903.18335 47059.88982 69860.07521 27871.55741 109786.8459 211185.8262 222466.811 99971.3318 159301.2786 223445.6007 143484.2524 106764.1487 80511.49906 338300.3493 390094.6442 107831.6941 113817.7688 122536.4576 138862.425 116404.5029 208332.3938 126316.2435 74409.31026 121664.2848 125044.2796 385813.4029 235250.6187 312580.6008 96655.0564 46527.52792 98374.79764 127298.8864 189722.3638 211653.2644 122839.8473 452554.6936 210984.7472 185777.3232 158100.1232 aconitate 1166822.206 656311.6395 1442847.066 1016086.547 1886231.711 892940.4209 756087.9899 1011333.307 1020980.196 1111769.828 1670942.273 973109.8826 1494282.105 1040297.8 807947.8001 623943.8878 873048.0966 1064337.749 2368974.172 750821.35 994599.1367 1106626.982 641518.5093 1158031.941 1046088.365 1546078.915 1329184.426 886221.4474 1150308.577 1847255.266 564392.3615 618097.6882 1142350.866 638869.8677 697197.6962 593025.2961 676904.5083 627042.1606 1017306.506 607790.2207 1105919.883 683172.3569 440360.2828 599215.7462 1083111.723 1809508.83 623594.8532 1310526.908 616711.2971 602415.0067 1320393.393 708931.6553 461993.7885 769208.8075 1952002.753 549897.4772 1156374.673 493999.8025 390577.2891 478361.4396 740720.3362 785812.0915 520557.7923 441540.3099 444083.7066 960680.6662 472155.781 954295.5719 735058.6279 747157.468 837559.7044 442347.1119 376122.7088 1347017.587 573572.2336 405724.309 863435.546 1855291.045 594486.6013 793501.6644 1241911.744 920545.1276 914886.7149 788242.9225 736008.1625 663628.6242 509960.5517 308873.0737 628587.9478 1119780.558 777769.4664 1005664.182 820835.4863 817802.5233 1076074.635 716744.7817 867849.0071 584874.9448 319180.7679 Ascorbic acid 1001686.093 1725863.7 2003903.984 2021457.587 2257063.554 2602358.949 980816.4834 1681194.56 2264315.112 1058821.681 1675702.991 2287232.47 2290997.124 1544289.732 1714795.264 3285135.302 2037260.564 2727072.36 2078999.221 2792257.704 1353643.201 1925604.698 1968032.66 2625324.806 3062315.613 1244768.887 2955789.61 1949630.678 2070727.47 1766494.701 2474050.465 2596217.997 1244818.146 2232195.451 3263372.877 251977.0743 1767205.161 1261833.959 2112616.331 791783.8545 1127009.391 2407500.101 2341654.271 1361635.242 2671690.238 2496363.136 2302978.097 1443357.517 2556456.236 2307333.147 2058644.57 1990931.438 2402051.821 1793054.801 1730774.922 2805801.682 3178222.424 1787950.702 1857882.609 2083070.74 1754369.411 3472650.826 733632.2769 1501192.043 2960514.38 1297594.287 2306916.821 1614283.483 3891270.86 2498462.748 2383574.098 2994165.625 2375039.121 1333880.338 2513388.059 1530478.361 1670136.601 362219.2147 2805554.92 2172426.461 1452729.925 2164013.207 2247863.334 1198714.952 2310610.039 2405849.495 2559464.754 1976702.014 2590165.895 2213444.202 2909586.252 1384592.353 2639231.741 2903715.404 1744196.695 765005.7631 1240324.943 2417993.738 1957246.797 2-Isopropylmalic acid 1476020.263 2702577.726 2896349.261 2989295.124 2851331.724 4188223.102 1792908.374 3425398.164 3676451.439 1832142.249 2660744.93 3615342.965 2827677.217 3085336.662 2760182.531 5484998.118 3369225.643 3449907.483 3550571.089 3605930.295 2044666.341 2728489.994 2267821.126 3976386.482 3871732.286 2376005.089 4475546.4 3778713.968 4362973.847 2770906.852 3811166.033 2955245.488 1886714.102 3022216.814 4842463.815 367215.5764 2497412.058 2047421.077 2920697.863 1239720.138 1611880.742 3611520.103 3256285.638 2439361.226 4051523.461 3381948.817 3401781.136 2247387.716 3711086.069 3939287.749 3686438.697 2981812.869 3319931.73 2622445.938 2276226.416 4498190.959 4464105.35 3029258.224 2606523.171 3146005.684 2638975.507 4845766.801 1048194.361 2532673.422 4436982.466 2446079.39 3371066.619 2606977.501 6820500.743 4296289.145 3569249.446 5070083.018 2870927.67 1972050.636 3589333.546 2297853.355 2455635.075 706352.0554 3643950.008 3807190.947 1987985.306 2853881 2950049.643 1905215.661 3833978.741 3960320.425 4171965.829 3141824.613 4548263.327 3491303.727 4943183.796 2047927.702 4269432.019 3968167.877 2623797.88 1227589.928 1707253.477 3260535.673 2708414.902 myo-inositol 473081.9617 406595.3244 674687.9424 431079.1001 302700.5141 588416.3408 451778.8015 493398.1888 367040.4852 512756.46 477051.1332 394814.4003 361531.471 449270.9852 419030.7425 358521.4246 374355.6147 395927.0622 574009.801 668880.3668 360679.0456 360986.3672 392808.8642 404500.3191 361404.0518 380333.0283 452973.0743 525665.6353 524042.7509 390079.3632 373761.014 554030.8095 447541.8852 462415.7386 419681.2997 442581.7283 529590.2802 507555.1963 809562.7017 714696.6426 534663.5361 316193.8979 497371.6796 422591.8506 814647.7855 961969.7014 342518.2422 367844.7175 448712.1875 660649.9293 627859.5594 662962.8699 490421.3037 463333.3537 460334.8108 461544.6941 845297.0916 380393.4039 629663.4055 651168.3571 1053465.49 698919.0427 737725.5763 940386.9186 552889.2787 447347.8736 430516.9746 508061.4165 834810.0785 780324.7594 554215.0198 530774.1595 1103788 563003.617 348101.3106 870466.5267 506451.3869 413549.0022 396759.1014 697850.0854 526597.7742 470720.8978 760103.5979 430386.7957 354059.322 587066.3689 560025.5053 655349.1764 690541.9023 809488.1962 806145.275 603999.6711 1043705.698 523001.3723 672778.5654 706686.2278 1169664.977 436503.3487 740563.6976 hydroxyphenylpyruvate 29562.97409 861.6728875 33255.77053 36322.18653 72075.06183 47685.77225 31648.17048 66382.05113 54157.47037 34225.78381 89423.10707 22028.36069 68580.01645 27117.70157 36862.79075 32069.38783 56592.59531 29039.51568 32939.44067 24389.18577 59409.57128 22723.23452 46910.98553 48120.94985 32978.67604 91409.84687 47211.69612 38491.37693 46263.17086 76898.00369 22635.8908 40718.82386 23450.41302 861.6728875 34178.6688 39201.56937 861.6728875 15588.14287 25054.87537 22484.82669 38136.22934 16871.95129 79717.80909 62373.89381 52423.47006 38140.43977 861.6728875 69742.59295 41167.61999 23910.11761 65656.50319 81216.42444 40346.68555 861.6728875 37951.635 64364.88414 82564.55285 50470.44356 10503.19936 23506.80887 14641.19465 27755.59726 11349.45161 22335.82629 27688.79464 39624.85737 47449.54588 41729.97534 36317.80441 40617.99483 24352.52008 24412.65537 16313.9825 16200.48229 861.6728875 13114.37172 46045.23747 48891.61847 16910.69802 25631.66591 105666.0865 58885.85332 46072.13176 52281.2814 62996.84996 28854.42694 48155.9517 45328.49323 34368.13688 57682.33399 13469.33425 36993.07819 30639.26189 45042.86665 21556.2812 44817.34579 49470.38613 75725.75063 16730.46905 isocitrate 333815.0364 213135.1778 439653.1152 229762.7887 237150.3402 234406.6559 215419.1699 274778.4842 264960.3141 423055.5709 351556.7794 346406.1818 497231.7218 275444.6266 861.6728875 93957.89165 279077.0769 227190.4963 611374.3788 258424.709 323993.2756 383425.977 225612.6633 563028.0989 260934.3038 293563.3947 442974.2536 294978.6066 465161.2174 430262.953 437006.4628 861.6728875 320206.6003 861.6728875 139103.7705 266314.7735 173840.849 169144.8705 290152.7792 861.6728875 356562.8112 205187.4257 861.6728875 309843.422 256759.4059 555050.5311 277362.1531 439616.2334 173648.5964 235099.8046 251362.4 163874.9411 200934.7474 209503.3675 715106.2399 156859.9763 181197.8514 861.6728875 861.6728875 119777.4132 149110.4327 166731.497 861.6728875 861.6728875 861.6728875 194838.5006 114822.1955 346550.1201 213815.5836 163801.5883 204824.0603 861.6728875 861.6728875 432613.3685 861.6728875 861.6728875 861.6728875 534073.8293 152188.7934 110200.2564 861.6728875 271113.7407 233192.4628 102476.0585 861.6728875 64401.76149 139365.0024 71255.94019 218721.699 269534.5299 241405.2194 195858.4884 267872.8954 183022.0012 557583.4782 409481.9599 313803.3924 121245.0648 861.6728875 D-gluconate 143246.3018 269419.4929 324147.1961 142432.4457 861.6728875 165824.8314 635505.5237 861.6728875 58953.66098 277374.0415 861.6728875 861.6728875 1607124.75 954357.9771 861.6728875 861.6728875 71856.9252 861.6728875 103330.1598 50665.77742 300465.2492 134374.2973 208370.5962 83416.2536 135068.7669 298388.8356 100607.7154 97653.09289 861.6728875 85601.32723 26245.74432 85841.48105 94980.00164 136942.051 861.6728875 861.6728875 861.6728875 441224.388 259367.3893 861.6728875 117632.746 47433.13709 861.6728875 38779.25073 81655.80958 861.6728875 136816.6482 88180.19032 51547.45783 48171.47263 142367.1486 331771.8177 74981.17303 60764.90266 1212221.033 165705.8211 31929.29456 186914.9112 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 65332.27713 147646.0387 45824.31688 70889.53075 99268.95732 75370.43915 162048.5578 25110.35929 58832.40836 50050.13191 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 19214.52836 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 38078.08416 11004.29345 140986.8924 336197.8052 57081.56761 143244.0916 76718.20925 24927.52448 41863.88637 861.6728875 D-glucarate 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 29753.84404 861.6728875 861.6728875 40590.7172 861.6728875 59728.58819 21398.11021 861.6728875 861.6728875 58406.65192 861.6728875 29862.30296 25276.78385 861.6728875 48377.57433 861.6728875 34095.46844 861.6728875 55625.63356 85263.10472 25247.74592 861.6728875 861.6728875 861.6728875 861.6728875 47007.88296 38945.46459 861.6728875 861.6728875 861.6728875 25656.32168 34390.53344 861.6728875 861.6728875 861.6728875 40044.74117 861.6728875 43246.83914 43526.41621 861.6728875 21913.33032 861.6728875 861.6728875 53585.35729 51875.30109 861.6728875 46834.51792 51557.98736 37739.3746 35040.91392 861.6728875 861.6728875 861.6728875 861.6728875 34040.97132 861.6728875 861.6728875 861.6728875 45517.0874 861.6728875 861.6728875 20667.0941 36657.45949 861.6728875 861.6728875 861.6728875 23870.4532 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 31049.22785 19477.95913 861.6728875 861.6728875 30193.50616 33980.62269 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 ribose-phosphate 785560.4047 889286.6144 1456810.737 757484.6299 623722.3157 514719.2218 749898.7142 826589.4131 953335.088 1181327.097 814876.6438 1303485.96 262503.396 664996.1905 428913.8339 470055.7568 327835.5312 466537.0321 298401.3608 212991.5449 956512.4287 226407.9848 408058.0276 1513336.092 1035174.065 256607.9942 433403.485 750207.8788 272067.7813 1356865.126 1044707.846 580345.2701 221151.5917 164031.182 630258.0391 975285.0228 792438.0861 744428.464 460305.3342 509001.2682 1046219.355 1025110.241 166387.6174 1094565.012 867115.4925 289488.3736 638532.6058 1674203.8 411960.2179 739723.0821 359914.9176 190229.7753 246651.9723 304319.1339 289907.205 264521.2146 226404.1355 861.6728875 586559.2177 653343.6098 815477.7858 258029.2868 245405.8244 297046.2278 131047.9895 256856.393 985718.2572 1256012.566 545823.4296 223623.4112 111307.162 272378.8639 151993.4359 261915.7314 238082.4882 384609.8906 851300.4644 1083001.007 679831.7247 653159.0976 839288.0717 804505.5662 780948.4954 513212.5865 576560.7829 482741.4419 625392.2403 307324.099 439281.8168 706776.0959 474258.3196 672562.2157 302902.7646 319075.4338 1526185.092 984067.1148 964617.9873 1121137.354 289605.5821 deoxyinosine 34753.33179 40259.64289 41820.46526 47499.07267 33421.72031 24926.27371 41834.90906 29725.0868 34708.90218 62087.20775 55483.65184 26256.37027 66200.26994 58826.48693 861.6728875 45996.84897 89794.48069 41904.15978 78349.06065 33201.31159 67197.22049 68831.88759 861.6728875 42418.71009 40010.16551 97011.66151 115172.1599 54717.2262 56155.65922 41569.37832 21509.55099 31018.30839 61171.72243 71989.69846 12999.87801 24405.91482 25701.85068 56696.99033 38788.85107 38606.20861 29289.73343 39710.31799 68545.23127 33996.17476 38642.4815 87871.68373 861.6728875 25300.76185 30291.64292 39012.95348 69247.53497 99626.65685 37884.24943 42564.42024 35503.10368 57256.56343 37505.35649 74245.24193 861.6728875 20321.30426 25195.77316 61201.90814 27237.83716 861.6728875 861.6728875 45859.64089 29044.0492 36768.06802 48616.36938 65952.20634 21686.43393 30439.12986 861.6728875 38378.52311 861.6728875 861.6728875 29463.41107 42412.62486 29010.88696 26287.5329 53960.8366 39446.07913 29043.00373 39049.73986 28502.73456 32413.58381 26518.86869 15325.30594 50655.16638 50598.47059 34740.10543 36441.62848 58448.59862 68920.49588 32403.82153 27667.70056 38318.84469 36124.34661 861.6728875 hexose-phosphate 1755390.392 2354992.833 2313047.173 1664253.14 1331011.577 1792075.403 2079129.183 2288495.325 2136124.659 1916170.196 3088546.466 3374928.258 3234270.497 3466914.769 1864540.976 2319900.525 2902206.523 4351010.001 4026387.097 3398046.282 4027190.569 2767404.17 2990572.637 5918248.657 3242810.446 3009862.811 3634338.709 2527597.81 4094453.285 5647174.221 4258419.801 1934713.893 2931778.233 1130714.273 1110859.753 1209078.51 1501641.73 3223818.308 2024420.267 3090989.927 4930867.423 3825048.91 1314072.88 3373121.103 3221697.02 2109495.112 3630164.36 4194227.651 3195706.362 2802057.726 3110286.91 3623922.437 1580529.441 2909473.877 1842256.818 2569160.56 2384386.021 846681.9759 1493440.912 2075247.674 2049566.736 1801249.18 1411858.178 2069647.458 1056218 1577573.474 3239704.208 3999528.686 3218831.141 3285776.882 2092390.068 1701827.19 1115553.023 1969445.014 1631051.987 1075468.305 1052933.091 1076806.2 1090540.757 1193314.03 1420457.645 1531377.2 909329.1734 1140447.095 879634.6339 1114413.546 1209073.827 1403372.208 2431347.446 1612605.074 1802964.566 2309364.665 2034449.03 2198526.629 4405099.047 2659671.006 2585624.505 4352386.215 1243296.313 glucose-1-phosphate 48384.78144 861.6728875 53257.77789 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 95900.63329 115153.541 241194.6807 861.6728875 140732.0078 861.6728875 861.6728875 861.6728875 391615.4169 73472.49871 80181.14376 223523.9911 141808.7953 74745.99167 339868.9136 112109.7906 142393.9976 202623.1709 79328.43805 247783.8549 264330.6606 61341.53885 861.6728875 144753.0496 861.6728875 861.6728875 861.6728875 861.6728875 143999.2194 861.6728875 302770.2127 307371.7778 215670.6758 861.6728875 142075.5935 96693.42156 861.6728875 211841.7133 211836.4528 151859.9791 167087.4903 99872.64422 200009.3982 861.6728875 103745.7459 861.6728875 93120.71264 861.6728875 861.6728875 861.6728875 861.6728875 96604.88379 861.6728875 861.6728875 861.6728875 861.6728875 58049.88892 229652.9196 77083.23018 149120.1847 179374.5849 34648.03718 40367.23344 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 861.6728875 39847.47569 76107.26455 861.6728875 64264.83971 79807.69793 88695.81668 70725.17196 136115.4874 67119.90362 65710.20188 338610.7738 861.6728875 fructose-6-phosphate 172565.6394 193226.4679 240292.8978 124929.9011 164213.749 175552.5267 229676.9667 228091.1794 236647.3143 177940.8733 297655.616 246453.754 247673.4153 268481.8466 109169.3563 219153.0073 277774.8328 219676.7275 380133.5458 354649.2863 303590.1612 258105.4519 244010.0463 492925.2436 255425.4372 282189.4379 246911.6647 273889.3608 262281.5887 554293.4052 431671.1682 114481.5129 189546.4729 142789.5851 113068.2085 116670.2466 165881.2605 277717.4521 191137.9995 147445.9101 381638.9011 380026.8814 93317.56734 263988.9767 258160.4092 192360.8915 238229.8145 363103.1872 323657.8141 267547.1468 304650.2954 330283.8853 182545.2427 272416.519 147293.1624 155616.9883 248308.5261 40005.35429 131879.4298 221992.6165 201394.109 159649.0348 132561.0483 158458.5085 112336.948 167885.7419 302023.7382 387688.4442 318978.595 294124.4336 179416.7876 140352.6382 108321.6903 131819.2995 144909.6252 93931.50633 81831.5813 92449.29026 110445.766 110872.6796 57087.82491 126374.5351 89931.65215 122695.8606 66514.98544 67590.55245 100840.4996 129191.8531 251374.2951 154061.6115 206536.6071 265277.5539 207772.5523 221269.4217 395612.0699 252526.0678 283602.5034 312962.3277 122487.4625 S-ribosyl-L-homocysteine_neg 3643270.356 894172.1586 1057349.609 3621844.494 3466487.495 1768180.946 3230725.945 3342436.714 5468248.347 4465730.811 680605.9956 4816988.735 77086.29326 601008.8426 898025.9855 1040988.012 48834.0103 288697.366 861.6728875 861.6728875 2541896.203 861.6728875 1865778.29 1468235.157 4262027.395 115006.4454 861.6728875 2504608.36 861.6728875 7841851.481 2198135.515 185137.0615 861.6728875 861.6728875 4903186.429 1126318.563 3460039.139 568707.1635 60673.50958 2619145.237 2453706.465 1102871.47 117481.3233 4490382.78 623363.2586 861.6728875 542416.2541 2744770.011 75465.67604 766610.8739 98369.40495 27986.63931 861.6728875 861.6728875 433727.2996 986733.4687 861.6728875 861.6728875 873519.6478 2428920.392 1451856.574 861.6728875 1400669.076 371662.5703 861.6728875 73896.86244 6129692.918 2179764.989 919004.3055 124237.8031 49717.02178 330221.1807 188172.2115 34139.45854 861.6728875 473673.8418 2839278.961 5434940.638 2842556.844 3479680.14 5826804.548 5489456.587 2574431.055 8252518.628 4299270.04 2017149.934 2265118.297 2316540.143 1183296.917 857624.2534 111269.809 3503630.842 28513.54923 116493.4224 4035841.932 4080839.446 5681975.987 8107354.524 861.6728875 inosine 11258921.76 17069993.8 21460729.17 11015184.02 8198400.532 12074118.05 12557507.07 12448622.63 18007408.22 13395802.67 5830769.286 14342653.97 277954.2503 6954248.943 6495237.689 5868030.313 974680.9459 4015998.384 480202.3616 434987.5768 6939117.546 195041.0863 4618074.481 11423444.03 8476858.863 119472.5689 542829.4636 8364537.569 605279.9458 7181594.972 14516711.33 10182889.99 267204.9877 251558.3445 9584861.075 18004549.06 10372853.15 14173753.94 3250961.522 12021145.55 8775635.682 10855450.33 3101774.471 8599232.61 5123205.538 168550.4148 5445057.977 8055854.91 1957463.861 5785903.27 970651.9054 231126.3264 406056.9316 613701.4657 3645417.541 4048788.708 461654.5153 173705.1626 8973920.631 12137478.46 14036483.56 1322741.014 9960443.12 2430426.235 519451.6524 840874.1305 8618190.223 13357963.09 9710840.597 3926405.161 876613.0656 5473209.109 1426739.366 364377.7646 1715288.104 5510449.65 17767883.47 12708396.98 11840112.58 12947698.25 15203297.02 12209410.52 15763443.56 7710716.041 10204967.03 9511110.371 15815116.76 11283482.6 8426958.915 10900716.04 6897842.25 11494985.01 260872.278 2945251.98 12726448.03 6448789.29 15493611.21 14477211.95 2034730.248 D-sedoheptulose-1-7-phosphate 139558.8153 122542.3989 224729.0957 207954.4271 67814.26792 182645.1395 237910.5736 293288.5817 283872.4126 329669.7874 167063.5996 465739.1817 357765.2743 333159.1474 861.6728875 151168.0075 430233.907 125816.2312 398957.7732 398416.2742 427975.0589 322031.3242 89277.21405 278605.465 349101.8964 425063.6639 368299.1311 192401.8567 263841.2946 448281.1201 172389.7345 156892.971 213912.0508 861.6728875 120277.4108 199882.87 263366.6153 313488.7234 210309.8525 321762.6744 536717.6912 448322.4531 191430.3751 285404.8393 339852.8315 463883.9908 240288.5634 540578.7696 252567.4207 203704.558 359799.653 528798.9578 182513.5431 283617.4058 270544.8296 461994.5477 599727.7253 861.6728875 117959.8002 218256.2573 185693.3175 409259.1342 120378.1859 64697.69992 74059.00715 151121.9597 594305.2045 234358.6429 591034.9419 551407.0508 74132.0243 153633.1421 86403.14405 244930.8318 119330.6748 861.6728875 146156.7933 104574.7215 143535.2352 110049.938 225840.8857 203133.9573 93575.26026 138202.9104 87673.44718 98952.15528 175059.8465 297741.1932 213142.8617 208338.9604 161389.2065 297505.5909 184740.7119 343997.0112 502934.4699 223093.3489 628204.9934 379354.4624 110263.6935 N-acetyl-glucosamine-1-phosphate 234690.3673 432461.7709 529667.7108 280555.7371 264286.8392 233874.1744 197276.524 302345.8859 361193.8431 288914.4044 245186.5685 202944.1482 266818.1633 232254.9535 89900.80295 179267.6322 191656.9671 295477.1699 326931.5458 368800.9492 247465.8304 202350.1313 225063.6342 365064.5417 211222.2311 356974.8675 284671.2914 291266.9558 277752.188 435446.221 329474.7022 290530.4238 313571.6814 252137.3941 261085.894 394292.4894 227059.6806 452937.9071 328116.3615 318672.2652 471529.1546 189780.2846 194033.0368 178715.2064 457809.2132 412012.6499 278215.4076 302291.5959 244857.8475 365415.3231 346266.5249 488335.1904 426999.7886 437070.7646 359702.261 375898.5821 600455.0389 103242.3112 452859.4155 332121.3096 210140.2415 225174.1833 313811.7378 355506.5273 310261.7961 323174.2733 206762.5387 292939.9302 616403.6937 340092.67 300517.8654 306140.6277 284170.8454 350552.6865 421224.5652 376441.152 184533.1338 202093.6823 186649.1978 262609.4653 280513.1739 223433.6973 355602.6744 251758.8515 181477.2534 132531.539 319758.4396 310448.1275 371429.4062 471084.4775 402520.8066 380072.5614 468427.641 410543.6815 599690.6192 292320.8968 407240.0794 245429.6225 264110.7004 glutathione_neg 260141.5338 486196.8595 507512.8657 441948.5562 435688.1827 424998.1573 451579.0847 390515.0474 544213.8953 229158.7926 463835.3752 551342.7916 387600.5042 495536.527 454032.2678 402367.5076 317574.5517 682786.4183 567347.9569 488773.189 535485.6815 471287.2067 531456.5737 429368.1059 494497.0673 410237.3135 611785.3312 749467.041 469563.7775 581946.5459 434449.575 339157.9635 478797.5414 434558.2592 732902.5474 680129.1607 693628.4951 534976.7574 424400.9954 619965.3537 767592.9912 427622.058 460955.265 410212.9603 1021101.602 779092.0378 632182.1515 464805.6011 485883.5558 748437.187 762336.5494 844393.8052 1005169.161 724494.9938 450338.2888 764342.3162 1028139.749 343751.3336 562001.7477 599471.0631 1092536.143 464382.3518 564041.9757 910732.0811 785263.4618 559860.2734 635838.4358 389211.2598 949409.2985 678795.6475 615215.9996 685360.0135 632130.965 990918.8156 622990.6891 881522.7069 414664.1197 217722.7442 366197.0905 423172.3808 544588.9641 326929.2508 882033.065 377055.5649 664463.3427 652505.6943 663276.1358 613804.9217 542583.2617 841263.9428 866232.2867 594408.8179 953299.5631 694412.0438 936725.2756 677088.305 947854.4945 590281.321 706331.6679 cyclic-AMP 77714.89961 103300.9332 75725.60255 87909.21253 54545.27492 74937.92718 73820.43247 77089.11329 77746.28701 83064.79171 59787.09772 115814.6751 53673.62263 77319.96531 861.6728875 77886.06206 861.6728875 97393.32722 38421.51039 49966.29813 49667.72892 25662.41433 89234.78929 73382.76357 69625.86973 33427.89439 36429.27116 68535.68933 861.6728875 73374.01857 109216.3915 83311.57192 38011.04369 31126.05619 99622.74391 104168.4966 76862.26659 70841.19272 68717.37525 99818.30219 93841.39479 76806.1308 47545.15035 71436.94128 100615.919 51923.41447 75925.63324 74288.40637 50386.54185 88147.38019 59544.87858 49137.97952 45744.43504 53819.47398 54057.52769 41706.56267 33492.20518 861.6728875 82501.29511 102409.3245 133000.4772 53778.88949 72259.55582 119176.7374 48101.30841 59100.87348 93207.00769 124418.6592 65064.60775 89062.65195 71149.82179 90249.12367 27297.0171 59565.14944 52470.5597 110107.1272 66197.15448 107433.3443 43506.96297 110674.731 118618.3361 106505.3114 102946.1996 82845.44302 79017.08717 102010.1007 76010.40141 93292.63585 84594.99655 88070.09205 103670.6532 99628.84996 44977.48773 80705.52397 97184.24747 96666.41663 105722.536 96662.24813 99245.67205 UDP_neg 69776.43033 126307.3994 85104.18006 76288.33549 78160.16508 72538.70434 46806.3235 53100.43322 71941.47684 42626.05156 34432.53889 74803.26497 73962.66605 58041.15232 861.6728875 62140.83273 91101.43228 28179.73397 70750.92497 153595.495 75663.28061 88065.70373 861.6728875 40377.66204 117150.3177 129770.7095 129786.1091 58389.22777 107104.7346 88877.79076 34709.99475 59080.75052 38735.11656 861.6728875 109747.0071 103818.6093 84224.17404 72896.71228 60252.32061 32231.30723 106313.1785 68218.04917 861.6728875 168972.8571 112757.834 180768.3905 107168.2108 119558.2943 36936.68865 93520.29807 121001.5331 116898.6665 112100.4514 108501.4993 83075.98893 79643.16335 152378.6137 861.6728875 55023.51139 51395.5579 39554.69904 120433.413 19319.5115 37704.28132 42790.70374 113277.4072 55600.44959 67341.78477 131797.5375 66689.01121 69222.81668 80147.13629 49135.70144 78206.50917 88975.127 79312.79166 54480.12171 100233.4363 43482.77905 45645.0873 99073.24333 90742.79051 104357.2062 56508.17233 32703.70945 55537.2221 79584.48782 49194.47643 139273.4751 137752.7759 73560.57491 61517.46839 104331.6072 103951.8843 100499.3159 137248.9424 148346.8024 164347.6929 101191.1376 ADP_neg 661873.7912 664381.2075 572986.7221 775723.6745 292693.2531 748442.5561 540560.3335 638087.8176 836114.443 990872.7575 644893.2669 1133385.155 491479.0441 786078.8962 1111668.873 924272.0196 1090987.778 584563.5294 823533.4431 1359616.986 615866.162 1141777.652 505980.5662 1265801.552 1515826.367 1169910.787 1348873.64 758712.8562 1039664.667 963277.735 260647.6299 605662.3899 952252.2358 375280.4517 809013.3179 942770.515 840625.2083 1068036.736 1168244.669 760936.1636 1198872.596 1180322.932 408226.8708 1124879.606 900664.715 1386540.871 928946.6059 1447224.182 846830.742 1041673.65 1241586.361 1541014.533 1039547.056 1006480.714 586942.9742 1563199.945 1468106.172 436762.7171 1319246.507 947879.3647 662480.9675 875515.7021 660626.4759 363478.7832 478437.1606 840571.32 1049779.434 897406.1198 1401684.31 1094255.598 614808.6837 917124.6723 861.6728875 1201545.218 806828.384 465889.1351 561592.9409 500548.2266 887551.6863 644841.5187 713624.1127 612348.8722 883850.4035 467447.4635 695658.9532 646181.1405 814394.3939 535345.1981 1137657.047 1048759.272 1048696.063 889424.4754 1441715.127 1296216.829 1318899.699 1427587.549 1031623.588 1555713.487 1058952.181 dGDP_neg 990398.1988 897699.5149 548036.6953 626257.0026 589309.6355 927594.7925 961859.9894 950443.4783 838028.2142 1079217.479 534564.102 1303334.975 499422.7087 885341.2957 837292.4381 871952.5117 1046117.22 670360.2141 682043.7873 1201954.628 974149.7536 1274518.293 422777.6694 1476970.073 1308017.621 1255636.788 1181228.972 928886.9574 1037467.889 1169098.235 275626.1841 730169.0933 764536.6508 285849.1243 861.6728875 1100894.188 783807.536 1030274.16 1214665.704 692237.9836 992860.881 1335915.889 454132.2985 962374.5546 1151928.737 1330427.064 913387.8508 1127669.561 887052.0014 1110233.42 1153734.47 1634328.617 1227852.425 1171695.054 563474.5682 1428261.821 1610757.981 291484.8191 1352457.402 1191752.79 800357.5438 861038.1785 491832.9401 583027.1953 477033.113 1072349.432 1172666.538 809951.2285 1181492.823 1383877.271 719017.4868 846860.8219 527442.9858 1198275.469 998147.4977 632318.6864 538047.4045 697223.6892 759549.9811 675060.0128 892160.6543 1072480.476 891245.9696 830677.5729 745319.9161 856869.8685 1041019.228 735939.5154 1017516.096 1185298.935 1355568.459 1081790.425 1374755.89 1308305 788961.1171 1265965.788 779100.4169 1570940.701 908164.4612 CDP-ethanolamine 24837.36111 23620.81379 27683.78744 31485.02392 24719.33849 21295.25281 11193.59203 15323.96562 20078.61364 11285.98594 861.6728875 17639.90007 19517.69754 18300.28271 861.6728875 12497.56062 20081.52732 19991.38534 861.6728875 31246.93365 16063.16809 25465.80774 22748.03374 25533.65992 26296.91838 15779.58393 39657.46026 24607.3923 23815.27777 17646.15525 23794.38926 21502.13484 13460.24592 861.6728875 19965.43605 29044.98202 17507.3141 33577.06686 27659.99996 14631.14386 24496.66944 21868.85297 16527.1673 24785.03065 32091.23103 40991.83119 33154.36394 14707.9038 24037.47639 30248.05967 29141.10725 25921.91732 24070.164 28497.00934 17591.7237 26706.20669 26952.28333 861.6728875 20141.89691 20914.64382 39158.15693 24040.01367 13816.28324 34092.73353 33907.87939 13273.32851 23891.70755 24639.92625 19728.6582 24602.53743 24131.11935 26813.02896 18373.57774 27062.5562 32017.53062 29867.8139 861.6728875 16574.21281 27309.39264 11771.62664 23637.48251 24958.65621 33516.29143 15781.80854 19503.63483 39622.98043 33610.18514 40530.91236 29476.36766 42363.03202 27973.37087 28123.45928 23724.02224 17595.24722 24665.2088 24489.79347 15390.68116 17074.51255 24120.08758 cholesteryl sulfate 71740.7459 93095.02661 42841.09602 91979.36009 38530.4814 119310.9156 81944.89214 75042.5295 58029.70923 62513.18927 50723.74172 54189.10646 105217.4902 20880.12436 78764.36664 62280.66025 62916.99025 40735.55152 10316.00533 42258.82463 37201.41532 64094.94524 69116.78181 77190.27465 59334.22859 38207.48426 82575.18517 40393.54832 108076.0052 36096.48559 861.6728875 84920.84891 78004.00947 110297.3907 42967.16636 58604.33125 50919.95355 18054.48128 50495.21276 47765.60121 861.6728875 70599.91853 89353.43934 75770.019 24623.9085 25759.5395 70030.49351 25736.0005 46014.47388 58849.77506 861.6728875 18435.43607 41658.47876 34985.85115 19547.16915 55010.2345 78487.27196 844852.1435 76039.02602 100552.8075 49875.74453 62132.05273 67265.10817 107462.1784 71044.96059 65348.55378 42832.4463 87854.84054 64276.44108 44923.8606 14897.07773 41461.0328 141936.5095 99483.9396 53622.54731 37573.95091 178443.9583 861.6728875 98888.02902 116000.6597 132370.6177 151710.2287 11417.8219 77611.8459 74473.63215 32926.54472 127884.9713 38277.47287 31050.03829 55283.55211 49798.8028 50470.20589 39222.58086 126281.1039 14574.45124 73400.5672 26089.58017 19155.75694 80630.8061 CDP-choline 41486.03155 102581.3862 68175.80707 95293.24046 66194.35579 80143.16867 44686.69332 75805.23686 67537.10876 53827.79492 75187.34792 37238.10011 108618.4862 51641.35542 101640.8798 41955.2065 65692.04842 77665.1936 78259.69032 123665.3136 60878.10096 87808.83365 73490.41575 78256.74161 58784.62565 861.6728875 80970.9179 58049.06788 81303.2973 71424.42986 87400.46744 89718.99721 57418.38019 63324.33818 111915.405 170659.7572 47516.5914 80115.44806 123869.6142 66340.16511 59753.19319 89591.73428 41200.91574 61606.6798 116858.1204 118553.8834 97203.05536 36770.86516 54258.16325 94019.40531 112594.0088 96898.21191 168487.5214 86243.38805 63216.2355 88126.57925 152247.7481 66672.08048 133217.6772 123082.3632 167380.9771 82544.41012 107102.1157 137943.0097 113832.4016 93553.47242 46379.14203 120185.7632 97374.02445 88809.85826 176562.4064 85098.60053 167877.376 72171.90395 74465.98902 107785.5104 71622.54044 109361.6898 158204.2608 75668.4589 135519.0945 80902.80927 133392.8397 118597.7037 125007.4019 126120.2013 160636.2826 119341.5942 41056.16381 68720.01591 69450.68734 75665.40256 149654.6231 118439.3183 76795.72213 60515.34079 26671.9823 44286.1951 123362.1192 ATP_neg 678300.5738 358619.5831 268864.7941 568428.8993 861.6728875 455862.9953 486381.4119 387302.2344 441770.4354 619672.2902 284700.2423 660550.877 429652.823 436330.1954 201844.4993 537310.7593 683806.8948 230355.4437 341436.9669 1404298.41 412756.0435 668014.148 121220.8332 593395.2696 627586.8419 645357.4383 846239.9426 549868.0367 483649.1859 627145.5872 60265.96445 306127.7195 321574.0557 227148.9565 837305.5194 1008054.513 653587.227 585460.5692 456768.0286 345399.3224 550552.0493 1032430.566 479698.3462 726008.7321 627437.3545 1371890.396 563791.9981 893008.6955 348441.0695 604933.0844 663244.3068 877315.5603 484448.8969 621083.9846 586538.7106 891155.9301 1252295.658 215117.8631 809637.9652 377444.5606 738686.3486 982985.0201 861.6728875 225006.019 396489.5891 726978.0903 612795.5213 285083.789 583832.6819 795008.3966 502767.1298 420995.1531 260211.9198 733796.1862 305728.3783 644093.1153 313225.2671 253702.984 392083.6427 491096.7399 978246.4816 422854.6894 868553.3366 624757.7955 549929.7879 597760.5005 655125.9915 753915.3162 699716.3362 848065.1369 681786.4408 448170.0038 1085445.547 725359.0162 578301.848 638847.8503 794368.2439 934966.6199 824182.2919 UDP-D-glucose 59607.02067 144421.0932 163579.1629 76238.52408 71133.97331 98637.40879 97376.32667 87902.35423 136286.479 136300.899 122295.9118 128050.5134 100976.8821 129415.6837 114338.9625 129430.6079 144155.5954 140460.6954 144692.7432 375845.9636 190235.5647 154539.6704 135611.0451 154043.3514 167068.8914 112141.9489 311491.9775 136920.9812 193825.7108 155453.8996 140489.2159 129762.0393 124684.3536 147372.6517 163356.8472 130710.639 128165.6149 226429.003 132891.8913 126830.9278 175072.3129 174249.4059 82402.73934 190486.7016 179823.3913 303959.1028 153711.6625 239624.2543 181321.2598 232190.0635 251677.8563 220952.4454 444592.9895 229482.9045 77533.57345 226318.9507 305224.1376 100032.3796 182603.4208 191459.4693 239555.5146 251643.2841 169259.9662 267988.4076 159859.0526 245892.6571 222059.7183 171001.4637 385669.8059 196813.3459 193075.3271 199920.3699 238029.3194 250963.6778 192121.8874 203887.7777 99550.65377 45032.21232 136542.7911 102582.2642 230070.1408 123917.9989 245296.7545 131963.8073 146284.1227 148442.3277 300279.5289 289911.63 240037.8507 176717.5219 320258.8367 205577.7354 222217.9934 225374.9133 386224.1013 226156.6117 318504.6762 240089.0794 244660.7203 UDP-D-glucuronate 95203.75405 41841.84317 138647.9188 51373.93022 78048.89213 50438.9491 53464.9899 58063.37961 63885.75649 83288.7825 35328.3028 39852.65223 39040.97659 58827.46904 55892.01744 71412.4725 58394.0827 71518.31007 61277.11928 119705.0053 47346.36902 36880.48477 66511.37461 43658.64428 65745.49244 93851.3307 59490.14366 107264.4534 110048.665 12607.01087 88315.11028 93429.1491 52032.53867 54581.02419 38721.94938 79364.36489 59390.55468 79202.70969 66143.89054 41964.63587 182840.9176 92412.95724 27075.3157 54521.76975 131389.7085 139362.3079 112270.4149 125023.3593 67994.21679 79308.85269 88749.99366 54930.00625 106191.7358 53244.17303 42999.23738 82785.28524 179197.6639 60250.9528 59795.96668 57922.20963 54512.8181 69744.11108 66496.15495 71357.13612 29063.91891 87233.00755 30215.91243 47271.87347 127918.7997 61801.07832 53981.86817 117674.2887 57628.49517 65608.11285 114691.5948 92852.96495 40060.31507 42276.88955 50857.6806 24380.60293 25216.27833 60270.51619 90490.31217 35910.3841 20384.68291 58038.10636 85571.17668 60235.79506 63691.88176 197383.8943 58358.12284 73651.6393 107220.7731 67002.03815 137892.3442 174299.0929 92831.78096 64027.5344 66851.01334 UDP-N-acetyl-glucosamine 38912.50468 56689.66134 45178.79408 43085.45041 38527.37125 45396.80695 28725.60636 43547.62771 22687.93116 33859.94879 34427.07193 35279.50256 43275.9332 33989.89074 861.6728875 44652.7603 53827.5416 27682.80235 20670.85791 128066.965 21993.17496 87811.35442 27997.28982 32127.15527 21655.84393 21595.38708 52883.93426 89593.03876 70630.20849 37813.87573 46222.99954 38559.04787 25119.36837 19653.42291 47795.59934 56020.64008 28758.79462 63707.13684 58344.16884 41950.64766 49593.95639 47969.50386 22367.77023 30449.08282 50255.0955 75673.57122 118384.2917 41674.76178 39836.91585 39243.5419 94050.45476 45670.60852 41771.27612 53995.47655 32573.96271 44063.30234 85959.75189 861.6728875 50687.65255 32983.8267 87524.58982 56097.73575 35407.37569 70565.67918 39556.45879 47408.59731 46379.33897 51291.07329 62368.42376 51002.85079 41283.324 64698.19416 65981.70608 59869.88061 46913.45052 88956.2965 38844.49133 38596.09797 40491.2198 52125.08265 34666.98017 47365.78915 38877.85188 45937.07146 24854.64569 60270.1944 80318.04598 79940.00682 38448.78617 70274.78855 58842.29943 39499.03297 60682.72303 44685.59868 78479.8861 97953.54565 43593.77263 61360.73809 63402.06577 glutathione disulfide_neg 75958.93143 71411.02851 71619.37853 48728.66783 39179.68491 29671.39237 73920.19417 45950.85175 107250.9078 107437.175 50321.02981 66627.0958 58692.44997 45201.16254 861.6728875 47345.68778 64776.10919 67254.57811 38326.16986 41512.39467 59945.84147 47136.69082 49261.59514 68830.33883 64515.04901 60138.98948 41850.66409 89512.08235 27380.43728 22260.52175 44790.3021 46741.49138 35358.98717 861.6728875 73625.77681 92624.46555 73476.3274 89532.3129 111571.8431 58816.74504 59167.31011 73243.75753 861.6728875 50963.81826 48879.88939 53131.81336 72491.61622 68462.02801 80665.632 88802.18423 130012.8659 119711.3939 135699.9125 84732.32489 39285.74795 57292.18232 172528.3855 861.6728875 103459.5383 87424.06626 31729.16779 96922.58495 36182.3145 62158.27175 63838.08896 56474.44719 31826.57594 79772.77336 150893.0637 102782.1069 69879.81749 89139.15177 89643.90144 92193.52222 68229.49153 84021.67423 861.6728875 861.6728875 45520.88558 50670.24304 66774.49566 96443.84641 25987.3334 861.6728875 27186.16753 20568.26204 82009.45882 31085.23115 96547.02052 150288.5604 155217.9217 108096.7925 96893.11412 68970.94798 73985.77416 158547.7304 130941.2295 79232.26415 62714.29062 2-hydroxygluterate 213122.9914 217284.5265 238632.8438 265625.9802 222534.6105 348464.4658 247042.9528 211938.3698 406558.5579 21780.67537 195255.9577 160999.7946 211608.8325 212943.1831 197476.3026 291581.3591 354535.2742 252133.0514 232639.3059 205761.4893 194466.3559 345389.8157 227991.1621 34391.43339 150334.5226 128719.571 479165.2591 295357.8491 354554.8906 186313.7639 345277.2655 319052.7328 242519.5394 275238.9529 590603.1346 433370.89 346523.7157 341915.8045 270695.5808 238585.7543 275310.5368 225414.3896 232255.4284 410662.6342 230178.7254 145817.5003 380148.7063 273430.7809 331847.0621 223407.3727 320583.6024 200574.1676 397585.0694 208153.573 267723.9285 323104.3868 317456.0642 162369.4219 276502.4599 326083.6565 336842.365 229679.407 369087.7145 389594.3532 384405.9853 282518.8292 230554.8291 260336.5363 484684.9003 385736.5455 375861.2613 513600.6076 484658.6099 337277.8661 356670.1122 348261.2232 193687.5556 218407.5239 263894.9136 233891.6127 42959.25519 239199.5574 185308.3434 429333.1741 306069.6471 272752.6738 302532.0327 301101.3955 328512.3847 413450.0606 411608.7387 318441.8371 335405.4235 282987.8647 323884.7973 604821.2124 288609.6073 197722.437 378228.8417 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name alanine choline dimethylglycine serine cytosine Creatinine proline betaine valine threonine nicotinamide DL-Pipecolic acid leucine-isoleucine ornithine asparagine aspartate adenine Methylcysteine methylnicotinamide lysine glutamine glutamate methionine histidine 2-Aminooctanoic acid carnitine phenylalanine arginine citrulline tyrosine Phosphorylcholine "Ng,NG-dimethyl-L-arginine" Acetylcarnitine DL tryptophan cytidine deoxyadenosine Glycerophosphocholine S-ribosyl-L-homocysteine_pos adenosine 1-Methyladenosine S-methyl-5-thioadenosine glutathione CMP UMP AMP IMP GMP S-adenosyl-L-homoCysteine_pos glutathione disulfide_pos NAD+_pos FAD sarcosine lactate succinate nicotinate taurine Citraconic acid malate hypoxanthine anthranilate p-hydroxybenzoate Carbamoyl phosphate a-ketoglutarate Phenylpropiolic acid 2-Hydroxy-2-methylbutanedioic acid xanthine orotate Uric acid dihydroxy-acetone-phosphate D-glyceraldehdye-3-phosphate shikimate aconitate Ascorbic acid 2-Isopropylmalic acid myo-inositol hydroxyphenylpyruvate isocitrate D-gluconate D-glucarate ribose-phosphate deoxyinosine hexose-phosphate glucose-1-phosphate fructose-6-phosphate S-ribosyl-L-homocysteine_neg inosine D-sedoheptulose-1-7-phosphate N-acetyl-glucosamine-1-phosphate glutathione_neg cyclic-AMP UDP_neg ADP_neg dGDP_neg CDP-ethanolamine cholesteryl sulfate CDP-choline ATP_neg UDP-D-glucose UDP-D-glucuronate UDP-N-acetyl-glucosamine glutathione disulfide_neg 2-hydroxygluterate METABOLITES_END #END