#METABOLOMICS WORKBENCH nsureshbabu_20251017_091434 DATATRACK_ID:6567 STUDY_ID:ST004309 ANALYSIS_ID:AN007172 PROJECT_ID:PR002725 VERSION 1 CREATED_ON October 24, 2025, 12:41 pm #PROJECT PR:PROJECT_TITLE Plasma metabolomics study on calorie restriction in rhesus macaques PR:PROJECT_SUMMARY This project aimed to assess plasma metabolite concentrations using LC-MS in two PR:PROJECT_SUMMARY cohorts of rhesus macaques. The ad-libitum (AL, n = 11) cohort consisted of PR:PROJECT_SUMMARY animals fed without restriction, while the calorie-restricted (CR, n = 6) cohort PR:PROJECT_SUMMARY received a diet restricted by up to 30% of their baseline intake. Plasma samples PR:PROJECT_SUMMARY were collected at three time points: uninfected baseline (labeled in the study PR:PROJECT_SUMMARY design as Ad-libitum and CR), 14 days post-SIV infection (labelled as PR:PROJECT_SUMMARY Ad-libitum+SIV, CR+SIV), and 11 months post-ART (labelled as Ad-libitum+SIV+ART, PR:PROJECT_SUMMARY CR+SIV+ART). LC-MS metabolomics was performed on all six CR animals at every PR:PROJECT_SUMMARY time point. In the AL cohort, only six of the eleven animals were profiled due PR:PROJECT_SUMMARY to the high cost of metabolomics; these same six animals were sampled at all PR:PROJECT_SUMMARY time points to maintain consistency and enable statistical comparisons without PR:PROJECT_SUMMARY confounding. PR:INSTITUTE Tulane National Biomedical Research Center PR:DEPARTMENT Immunology PR:LABORATORY Joseph Mudd PR:LAST_NAME Suresh Babu PR:FIRST_NAME Naveen PR:ADDRESS 18703 Three Rivers Road, Covington, Louisiana, USA, 70433. PR:EMAIL nsureshbabu@tulane.edu PR:PHONE 4126264523 #STUDY ST:STUDY_TITLE Metabolic reprogramming by caloric restriction enhances acute-phase virologic ST:STUDY_TITLE control and reduces chronic inflammation in SIV-infected rhesus macaques ST:STUDY_TYPE Non-human primate study ST:STUDY_SUMMARY Nutrient metabolism influences HIV-1 replication, immunity, and chronic ST:STUDY_SUMMARY inflammation, yet is difficult to leverage for therapeutic gain. We sought to ST:STUDY_SUMMARY modulate metabolism in the non-human primate model of HIV-1 by caloric ST:STUDY_SUMMARY restriction (CR) without causing malnutrition, a modality canonically known for ST:STUDY_SUMMARY its anti-aging benefits. Four months of 30% CR was safe and resulted in broad ST:STUDY_SUMMARY metabolic reprogramming in healthy male and female rhesus macaques. Relative to ST:STUDY_SUMMARY that of ad libitum-fed animals, CR reduced acute phase viremia upon infection ST:STUDY_SUMMARY with SIV and notably enhanced the cycling of memory CD8⁺ T cells and NK cells ST:STUDY_SUMMARY in lymphoid tissues. During virologic suppression with antiretroviral therapy ST:STUDY_SUMMARY (ART), CR reduced the densities of activated lymphocytes in the GI tract and ST:STUDY_SUMMARY caused a systemic down-regulation of soluble inflammatory media-tors. ST:STUDY_SUMMARY Interrogating the plasma metabolome across infection revealed a contribution of ST:STUDY_SUMMARY distinct metabolic states to outcome, with glycolytic signatures associated with ST:STUDY_SUMMARY im-proved virologic control during acute SIV, and tricarboxylic acid cycle ST:STUDY_SUMMARY metabolites linked to an anti-inflammatory state during ART. These data ST:STUDY_SUMMARY highlight that manipulating metabolism through diet can enhance immunity and ST:STUDY_SUMMARY limit pathology in a primate lentiviral infection and reveal context-dependent ST:STUDY_SUMMARY metabolic programs associated with improved outcomes in SIV. ST:INSTITUTE Tulane National Biomedical Research Center ST:DEPARTMENT Immunology ST:LAST_NAME Naveen ST:FIRST_NAME Suresh Babu ST:ADDRESS 18703 Three Rivers Road, Covington, Louisiana, USA, 70433. ST:EMAIL nsureshbabu@tulane.edu ST:PHONE 4126264523 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Macaca mulatta SU:TAXONOMY_ID 9544 #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 - A1_JH80 Sample source:Plasma | Experimental_condition:Ad-Libitum Exp_batch=Exp2; RAW_FILE_NAME(Raw_File_name)=A1_JH80_pos, A1_JH80_neg SUBJECT_SAMPLE_FACTORS - A2_KF18 Sample source:Plasma | Experimental_condition:Ad-Libitum Exp_batch=Exp2; RAW_FILE_NAME(Raw_File_name)=A2_KF18_pos, A2_KF18_neg SUBJECT_SAMPLE_FACTORS - A3_JN26 Sample source:Plasma | Experimental_condition:Ad-Libitum Exp_batch=Exp2; RAW_FILE_NAME(Raw_File_name)=A3_JN26_pos, A3_JN26_neg SUBJECT_SAMPLE_FACTORS - A4_MF56 Sample source:Plasma | Experimental_condition:Ad-Libitum Exp_batch=Exp2; RAW_FILE_NAME(Raw_File_name)=A4_MF56_pos, A4_MF56_neg SUBJECT_SAMPLE_FACTORS - A5_JL54 Sample source:Plasma | Experimental_condition:Ad-Libitum Exp_batch=Exp2; RAW_FILE_NAME(Raw_File_name)=A5_JL54_pos, A5_JL54_neg SUBJECT_SAMPLE_FACTORS - A6_IF12 Sample source:Plasma | Experimental_condition:Ad-Libitum Exp_batch=Exp2; RAW_FILE_NAME(Raw_File_name)=A6_IF12_pos, A6_IF12_neg SUBJECT_SAMPLE_FACTORS - A7_KN43 Sample source:Plasma | Experimental_condition:CR Exp_batch=Exp2; RAW_FILE_NAME(Raw_File_name)=A7_KN43_pos, A7_KN43_neg SUBJECT_SAMPLE_FACTORS - A8_JT07 Sample source:Plasma | Experimental_condition:CR Exp_batch=Exp2; RAW_FILE_NAME(Raw_File_name)=A8_JT07_pos, A8_JT07_neg SUBJECT_SAMPLE_FACTORS - A9_JL97 Sample source:Plasma | Experimental_condition:CR Exp_batch=Exp2; RAW_FILE_NAME(Raw_File_name)=A9_JL97_pos, A9_JL97_neg SUBJECT_SAMPLE_FACTORS - A10_JJ45 Sample source:Plasma | Experimental_condition:CR Exp_batch=Exp2; RAW_FILE_NAME(Raw_File_name)=A10_JJ45_pos, A10_JJ45_neg SUBJECT_SAMPLE_FACTORS - B1_JN33 Sample source:Plasma | Experimental_condition:CR Exp_batch=Exp2; RAW_FILE_NAME(Raw_File_name)=B1_JN33_pos, B1_JN33_neg SUBJECT_SAMPLE_FACTORS - B2_KD65 Sample source:Plasma | Experimental_condition:CR Exp_batch=Exp2; RAW_FILE_NAME(Raw_File_name)=B2_KD65_pos, B2_KD65_neg SUBJECT_SAMPLE_FACTORS - B3_JH80 Sample source:Plasma | Experimental_condition:Ad-Libitum + SIV Exp_batch=Exp2; RAW_FILE_NAME(Raw_File_name)=B3_JH80_pos, B3_JH80_neg SUBJECT_SAMPLE_FACTORS - B4_KF18 Sample source:Plasma | Experimental_condition:Ad-Libitum + SIV Exp_batch=Exp2; RAW_FILE_NAME(Raw_File_name)=B4_KF18_pos, B4_KF18_neg SUBJECT_SAMPLE_FACTORS - B5_JN26 Sample source:Plasma | Experimental_condition:Ad-Libitum + SIV Exp_batch=Exp2; RAW_FILE_NAME(Raw_File_name)=B5_JN26_pos, B5_JN26_neg SUBJECT_SAMPLE_FACTORS - B6_MF56 Sample source:Plasma | Experimental_condition:Ad-Libitum + SIV Exp_batch=Exp2; RAW_FILE_NAME(Raw_File_name)=B6_MF56_pos, B6_MF56_neg SUBJECT_SAMPLE_FACTORS - B7_JL54 Sample source:Plasma | Experimental_condition:Ad-Libitum + SIV Exp_batch=Exp2; RAW_FILE_NAME(Raw_File_name)=B7_JL54_pos, B7_JL54_neg SUBJECT_SAMPLE_FACTORS - B8_IF12 Sample source:Plasma | Experimental_condition:Ad-Libitum + SIV Exp_batch=Exp2; RAW_FILE_NAME(Raw_File_name)=B8_IF12_pos, B8_IF12_neg SUBJECT_SAMPLE_FACTORS - B9_KN43 Sample source:Plasma | Experimental_condition:CR + SIV Exp_batch=Exp2; RAW_FILE_NAME(Raw_File_name)=B9_KN43_pos, B9_KN43_neg SUBJECT_SAMPLE_FACTORS - B10_JT07 Sample source:Plasma | Experimental_condition:CR + SIV Exp_batch=Exp2; RAW_FILE_NAME(Raw_File_name)=B10_JT07_pos, B10_JT07_neg SUBJECT_SAMPLE_FACTORS - C1_JL97 Sample source:Plasma | Experimental_condition:CR + SIV Exp_batch=Exp2; RAW_FILE_NAME(Raw_File_name)=C1_JL97_pos, C1_JL97_neg SUBJECT_SAMPLE_FACTORS - C2_JJ45 Sample source:Plasma | Experimental_condition:CR + SIV Exp_batch=Exp2; RAW_FILE_NAME(Raw_File_name)=C2_JJ45_pos, C2_JJ45_neg SUBJECT_SAMPLE_FACTORS - C3_JN33 Sample source:Plasma | Experimental_condition:CR + SIV Exp_batch=Exp2; RAW_FILE_NAME(Raw_File_name)=C3_JN33_pos, C3_JN33_neg SUBJECT_SAMPLE_FACTORS - C4_KD65 Sample source:Plasma | Experimental_condition:CR + SIV Exp_batch=Exp2; RAW_FILE_NAME(Raw_File_name)=C4_KD65_pos, C4_KD65_neg SUBJECT_SAMPLE_FACTORS - A1_JD37_ART Sample source:Plasma | Experimental_condition:Ad-libitum+SIV+ART Exp_batch=Exp3; RAW_FILE_NAME(Raw_File_name)=A1_JD37_lowrange_pos, A1_JD37_lowrange_neg, A1_JD37_highrange_pos, A1_JD37_highrange_neg SUBJECT_SAMPLE_FACTORS - A2_IB41_ART Sample source:Plasma | Experimental_condition:Ad-libitum+SIV+ART Exp_batch=Exp3; RAW_FILE_NAME(Raw_File_name)=A2_IB41_lowrange_pos, A2_IB41_lowrange_neg, A2_IB41_highrange_pos, A2_IB41_highrange_neg SUBJECT_SAMPLE_FACTORS - A3_JL60_ART Sample source:Plasma | Experimental_condition:Ad-libitum+SIV+ART Exp_batch=Exp3; RAW_FILE_NAME(Raw_File_name)=A3_JL60_lowrange_pos, A3_JL60_lowrange_neg, A3_JL60_highrange_pos, A3_JL60_highrange_neg SUBJECT_SAMPLE_FACTORS - A4_HP61_ART Sample source:Plasma | Experimental_condition:Ad-libitum+SIV+ART Exp_batch=Exp3; RAW_FILE_NAME(Raw_File_name)=A4_HP61_lowrange_pos, A4_HP61_lowrange_neg, A4_HP61_highrange_pos, A4_HP61_highrange_neg SUBJECT_SAMPLE_FACTORS - A5_IF12_ART Sample source:Plasma | Experimental_condition:Ad-libitum+SIV+ART Exp_batch=Exp3; RAW_FILE_NAME(Raw_File_name)=A5_IF12_lowrange_pos, A5_IF12_lowrange_neg, A5_IF12_highrange_pos, A5_IF12_highrange_neg SUBJECT_SAMPLE_FACTORS - B1_JL54_ART Sample source:Plasma | Experimental_condition:Ad-libitum+SIV+ART Exp_batch=Exp3; RAW_FILE_NAME(Raw_File_name)=B1_JL54_lowrange_pos, B1_JL54_lowrange_neg, B1_JL54_highrange_pos, B1_JL54_highrange_neg SUBJECT_SAMPLE_FACTORS - B2_KF18_ART Sample source:Plasma | Experimental_condition:Ad-libitum+SIV+ART Exp_batch=Exp3; RAW_FILE_NAME(Raw_File_name)=B2_KF18_lowrange_pos, B2_KF18_lowrange_neg, B2_KF18_highrange_pos, B2_KF18_highrange_neg SUBJECT_SAMPLE_FACTORS - B3_MF56_ART Sample source:Plasma | Experimental_condition:Ad-libitum+SIV+ART Exp_batch=Exp3; RAW_FILE_NAME(Raw_File_name)=B3_MF56_lowrange_pos, B3_MF56_lowrange_neg, B3_MF56_highrange_pos, B3_MF56_highrange_neg SUBJECT_SAMPLE_FACTORS - B4_JH80_ART Sample source:Plasma | Experimental_condition:Ad-libitum+SIV+ART Exp_batch=Exp3; RAW_FILE_NAME(Raw_File_name)=B4_JH80_lowrange_pos, B4_JH80_lowrange_neg, B4_JH80_highrange_pos, B4_JH80_highrange_neg SUBJECT_SAMPLE_FACTORS - B5_JN26_ART Sample source:Plasma | Experimental_condition:Ad-libitum+SIV+ART Exp_batch=Exp3; RAW_FILE_NAME(Raw_File_name)=B5_JN26_lowrange_pos, B5_JN26_lowrange_neg, B5_JN26_highrange_pos, B5_JN26_highrange_neg SUBJECT_SAMPLE_FACTORS - C1_JL97_ART Sample source:Plasma | Experimental_condition:CR+SIV+ART Exp_batch=Exp3; RAW_FILE_NAME(Raw_File_name)=C1_JL97_lowrange_pos, C1_JL97_lowrange_neg, C1_JL97_highrange_pos, C1_JL97_highrange_neg SUBJECT_SAMPLE_FACTORS - C2_KN43_ART Sample source:Plasma | Experimental_condition:CR+SIV+ART Exp_batch=Exp3; RAW_FILE_NAME(Raw_File_name)=C2_KN43_lowrange_pos, C2_KN43_lowrange_neg, C2_KN43_highrange_pos, C2_KN43_highrange_neg SUBJECT_SAMPLE_FACTORS - C3_JT07_ART Sample source:Plasma | Experimental_condition:CR+SIV+ART Exp_batch=Exp3; RAW_FILE_NAME(Raw_File_name)=C3_JT07_lowrange_pos, C3_JT07_lowrange_neg, C3_JT07_highrange_pos, C3_JT07_highrange_neg SUBJECT_SAMPLE_FACTORS - C4_KD65_ART Sample source:Plasma | Experimental_condition:CR+SIV+ART Exp_batch=Exp3; RAW_FILE_NAME(Raw_File_name)=C4_KD65_lowrange_pos, C4_KD65_lowrange_neg, C4_KD65_highrange_pos, C4_KD65_highrange_neg SUBJECT_SAMPLE_FACTORS - C5_JN33_ART Sample source:Plasma | Experimental_condition:CR+SIV+ART Exp_batch=Exp3; RAW_FILE_NAME(Raw_File_name)=C5_JN33_lowrange_pos, C5_JN33_lowrange_neg, C5_JN33_highrange_pos, C5_JN33_highrange_neg SUBJECT_SAMPLE_FACTORS - D1_JJ45_ART Sample source:Plasma | Experimental_condition:CR+SIV+ART Exp_batch=Exp3; RAW_FILE_NAME(Raw_File_name)=D1_JJ45_lowrange_pos, D1_JJ45_lowrange_neg, D1_JJ45_highrange_pos, D1_JJ45_highrange_neg #COLLECTION CO:COLLECTION_SUMMARY This study included adult, non-obese, male and female Indian-origin rhesus CO:COLLECTION_SUMMARY macaques divided into two age-, sex-, and weight-matched cohorts, namely CO:COLLECTION_SUMMARY ad-libitum/AL cohort (fed as needed) and calorie-restricted/CR cohort (food CO:COLLECTION_SUMMARY restricted to 70% of baseline feeding habit). Following caloric restriction in CO:COLLECTION_SUMMARY the CR cohort, both the AL and CR groups were intravenously (i.v.) infected with CO:COLLECTION_SUMMARY 5,000 IU/mL of genetically barcoded SIVmac239M virus. At 28 days post-infection, CO:COLLECTION_SUMMARY all animals, regardless of their experimental status, were started on combined CO:COLLECTION_SUMMARY antiretroviral therapy (cART) composed of a regimen of three antiretroviral CO:COLLECTION_SUMMARY drugs: TDF (Tenofovir disoproxil fumarate; ~5 mg/kg), FTC (Emtricitabine; ~38 CO:COLLECTION_SUMMARY mg/kg), and DTG (Dolutegravir; ~2.5 mg/kg). LC-MS metabolomics was performed on CO:COLLECTION_SUMMARY plasma samples isolated on day 14 post-infection and 11 months CO:COLLECTION_SUMMARY post-antiretroviral therapy. All blood for the study was collected using CO:COLLECTION_SUMMARY EDTA-containing S-Monovette® tubes (Sarstedt Inc., Newton, NC). Plasma CO:COLLECTION_SUMMARY isolation was carried out via centrifugation at 900 x g for 15 minutes. CO:COLLECTION_SUMMARY Following this, plasma was frozen down in 1 mL cryovials housed in Corning cool CO:COLLECTION_SUMMARY cells and stored for later usage at -80°C. CO:SAMPLE_TYPE Blood (plasma) #TREATMENT TR:TREATMENT_SUMMARY Plasma samples were used without any treatment. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Plasma samples from ad-libitum and caloric-restriction groups were SP:SAMPLEPREP_SUMMARY simultaneously extracted. An established protocol was followed, wherein the SP:SAMPLEPREP_SUMMARY samples were first added to a metabolite extraction plate containing a sorbent SP:SAMPLEPREP_SUMMARY filter for protein precipitation & phospholipid removal, followed by the SP:SAMPLEPREP_SUMMARY addition of 99% LC-MS grade acetonitrile with 1% formic acid to the plate, at a SP:SAMPLEPREP_SUMMARY 3:1 acetonitrile-to-sample volume ratio. The solution containing the metabolites SP:SAMPLEPREP_SUMMARY was pushed through the sorbent filter of the plate using a positive pressure-96 SP:SAMPLEPREP_SUMMARY processor and collected in an MS plate, while the protein and phospholipids SP:SAMPLEPREP_SUMMARY remained trapped in the sorbent filter of the plate. The metabolite solution was SP:SAMPLEPREP_SUMMARY then dried to 150uL, ready for acquisition. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Discovery HSF5 column (15 cm × 2.1 mm, 3 um particle size) CH:SOLVENT_A 100% water; 0.1% formic acid CH:SOLVENT_B 100% acetonitrile; 0.1% formic acid CH:FLOW_GRADIENT 2% B from 0 to 1 minutes, then increase from 2% to 100% B from 1 to 5.5 minutes, CH:FLOW_GRADIENT then hold at 100% B from 5.5 to 7 minutes. At 7 minutes, decrease from 100% to CH:FLOW_GRADIENT 2%B. Hold at 2% B from 7 to 9 minutes. CH:FLOW_RATE 0.7mL/min CH:COLUMN_TEMPERATURE 35° C #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Orbitrap IQ-X Tribrid MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS To guarantee instrument sensitivity and data accuracy, a calibration procedure MS:MS_COMMENTS was performed before data acquisition. The final metabolite intensity data was MS:MS_COMMENTS obtained by integrating the area under each chromatographic peak and then MS:MS_COMMENTS normalizing the values to the sample volume. Data analysis was performed using MS:MS_COMMENTS Gigantest’s Laboratory Information Management System (LIMS) with the use of MS:MS_COMMENTS Python, R, and machine learning. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Normalized intensity MS_METABOLITE_DATA_START Samples A1_JH80 A2_KF18 A3_JN26 A4_MF56 A5_JL54 A6_IF12 A7_KN43 A8_JT07 A9_JL97 A10_JJ45 B1_JN33 B2_KD65 B3_JH80 B4_KF18 B5_JN26 B6_MF56 B7_JL54 B8_IF12 B9_KN43 B10_JT07 C1_JL97 C2_JJ45 C3_JN33 C4_KD65 A1_JD37_ART A2_IB41_ART A3_JL60_ART A4_HP61_ART A5_IF12_ART B1_JL54_ART B2_KF18_ART B3_MF56_ART B4_JH80_ART B5_JN26_ART C1_JL97_ART C2_KN43_ART C3_JT07_ART C4_KD65_ART C5_JN33_ART D1_JJ45_ART Factors Sample source:Plasma | Experimental_condition:Ad-Libitum Sample source:Plasma | Experimental_condition:Ad-Libitum Sample source:Plasma | Experimental_condition:Ad-Libitum Sample source:Plasma | Experimental_condition:Ad-Libitum Sample source:Plasma | Experimental_condition:Ad-Libitum Sample source:Plasma | Experimental_condition:Ad-Libitum Sample source:Plasma | Experimental_condition:CR Sample source:Plasma | Experimental_condition:CR Sample source:Plasma | Experimental_condition:CR Sample source:Plasma | Experimental_condition:CR Sample source:Plasma | Experimental_condition:CR Sample source:Plasma | Experimental_condition:CR Sample source:Plasma | Experimental_condition:Ad-Libitum + SIV Sample source:Plasma | Experimental_condition:Ad-Libitum + SIV Sample source:Plasma | Experimental_condition:Ad-Libitum + SIV Sample source:Plasma | Experimental_condition:Ad-Libitum + SIV Sample source:Plasma | Experimental_condition:Ad-Libitum + SIV Sample source:Plasma | Experimental_condition:Ad-Libitum + SIV Sample source:Plasma | Experimental_condition:CR + SIV Sample source:Plasma | Experimental_condition:CR + SIV Sample source:Plasma | Experimental_condition:CR + SIV Sample source:Plasma | Experimental_condition:CR + SIV Sample source:Plasma | Experimental_condition:CR + SIV Sample source:Plasma | Experimental_condition:CR + SIV Sample source:Plasma | Experimental_condition:Ad-libitum+SIV+ART Sample source:Plasma | Experimental_condition:Ad-libitum+SIV+ART Sample source:Plasma | Experimental_condition:Ad-libitum+SIV+ART Sample source:Plasma | Experimental_condition:Ad-libitum+SIV+ART Sample source:Plasma | Experimental_condition:Ad-libitum+SIV+ART Sample source:Plasma | Experimental_condition:Ad-libitum+SIV+ART Sample source:Plasma | Experimental_condition:Ad-libitum+SIV+ART Sample source:Plasma | Experimental_condition:Ad-libitum+SIV+ART Sample source:Plasma | Experimental_condition:Ad-libitum+SIV+ART Sample source:Plasma | Experimental_condition:Ad-libitum+SIV+ART Sample source:Plasma | Experimental_condition:CR+SIV+ART Sample source:Plasma | Experimental_condition:CR+SIV+ART Sample source:Plasma | Experimental_condition:CR+SIV+ART Sample source:Plasma | Experimental_condition:CR+SIV+ART Sample source:Plasma | Experimental_condition:CR+SIV+ART Sample source:Plasma | Experimental_condition:CR+SIV+ART 1,5-anhydroglucitol 1421738.12 1407509.75 1143927.75 2140395.5 1107405.12 1274594.88 3336685 1633458.12 1659850.88 1957461.25 2038492.88 1853725.62 1377434.25 1369723.5 1825627.75 1248059.25 1035023.75 1828819.25 1009982.861 123556.61 49597.35 1021204.674 44048.92 43570.61 12634.03875 12828.2489 2759.694394 12775.96202 6303.970933 6028.778885 7416.921306 9338.566999 10423.36057 412.6188007 759618.1234 868195.14 915379.495 601932.7483 805108.9462 688030.9675 11beta,17alpha,21-trihydroxypregnenolone 2334333.75 859499.44 4134392 1806835.38 1269040 573921.88 387889.25 632857.06 2323769.5 1775862.5 507768.31 629670.69 1241377 392375.53 7021244.5 1553932.75 537312.56 519151.09 1037871.38 420497.03 3580999.25 2862684 436453.53 1343001.62 663459.12 360018.97 774707.62 504196.47 436055.78 244461.19 420729.94 629959.19 594596.81 556133.56 373106.25 425990.12 614133.31 488789.66 494785.97 566817.69 11beta-hydroxytestosterone 102794.5541 65835.902 117272.1704 85185.70825 41798.46124 107532.3264 63180.38187 77024.5757 16508.25723 99192.69673 60056.65098 83933.03036 36792.51355 37441.41366 65648.58917 70716.68775 11-dehydrocorticosterone 382761.09 284159.19 1223872.75 597996.06 322219.19 199165.88 338353.31 218750.94 553068.69 678595.19 289815.16 570947.31 383382.03 307935.97 2580878.25 420658.72 275315.69 315130.59 347519 186772.64 1361574 1145770.25 119872.6 736653.5 11-deoxycortisol 22467148 22792914 17847666 20084324 14856216 6241465.5 9312149 3423760.5 10773353 20461060 17533898 27433586 21441650 8125640.5 30433206 13237033 11255096 12627312 10609220 3676465.25 12710897 24683292 10541140 31330098 508097.0027 324150.5037 510161.7134 736817.6866 548984.6445 428715.4763 234851.731 396636.6981 33791.22267 438593.6776 130308.8109 182716.2764 220706.3231 610785.2969 364017.8762 198790.4663 11-ketoetiocholanolone 102794.5541 65835.902 117272.1704 85185.70825 41798.46124 107532.3264 63180.38187 77024.5757 16508.25723 99192.69673 60056.65098 83933.03036 36792.51355 37441.41366 65648.58917 70716.68775 16alpha-hydroxydehydroepiandrosterone 102794.5541 65835.902 117272.1704 85185.70825 41798.46124 107532.3264 63180.38187 77024.5757 16508.25723 99192.69673 60056.65098 83933.03036 36792.51355 37441.41366 65648.58917 70716.68775 17alpha-hydroxyprogesterone 2921713.5 1175351 2445707.5 2630551.25 1730758.62 1290825.12 1311784 2500022 2758745.75 1349835.88 1082369.25 795574.5 1079541.5 1750195.38 1443335.38 993077.94 17-hydroxyprogesterone 10643835 9745219 11420835 7971815 8145955.5 5325587 4035906.5 3428570 7520518.5 7257986.5 7395299.5 6231362.5 9207041 2860383.5 8650321 4713548 4916709 3866789.5 3152056.75 2550482 9101387 7184101.5 4802365 5704442.5 19-hydroxytestosterone 102794.5541 65835.902 117272.1704 85185.70825 41798.46124 107532.3264 63180.38187 77024.5757 16508.25723 99192.69673 60056.65098 83933.03036 36792.51355 37441.41366 65648.58917 70716.68775 19-oxoandrostenedione 157678.173 126767.0183 135999.5313 127575.1702 128000.6386 135502.6503 129839.7434 128283.3894 117282.8919 132524.1866 131393.4769 148397.0284 117417.6304 115461.2809 133545.4102 134388.8083 1-methyl-4-pyridone-3-carboximide 897304.764 2018067.623 1441986.863 1290086.947 1872693.446 3397270.744 2022533.562 1397725.764 1223349.516 1371095.359 130708.988 582554.879 1885911.474 1400172.893 436394.2831 1203016.062 1-methyl-5-carboxylamide-2-pyridone 897304.764 2018067.623 1441986.863 1290086.947 1872693.446 3397270.744 2022533.562 1397725.764 1223349.516 1371095.359 130708.988 582554.879 1885911.474 1400172.893 436394.2831 1203016.062 1-methyladenosine 1899842.5 2095166.25 1936830.38 1954186.5 1350095.5 1859207 1528165.5 1806119.25 1647898.62 1668705.12 1486306.5 1563302.38 1749022.88 1734621 1263139 1748696.12 1-methylguanine 51266.68379 138788.9891 9714.038924 78848.25664 1511.729796 38389.65639 104515.0326 81558.80675 4788.17789 23743.56787 3178.917141 22.46392061 123720.0857 69602.1561 300.9541619 555.475997 1-methylhistidine 91469272 104769472 115055192 80826568 60198716 74517152 115847648 105162400 80683480 118122976 122118576 70755976 103049000 114141480 139068448 52473480 66245296 86209456 122916128 78463016 87031432 108863848 129991288 87669728 13392685.01 15646075.63 14056020.99 17467555.03 19156431.18 19681399 17580935.31 12783098.08 17031427.85 20380984.97 14640565.08 19890037.61 13768849.18 14939081.17 21887802.97 20204605.83 1-methylnicotinamide 53183.61141 63262.3496 37092.60855 42071.24116 65950.39756 50743.62675 41977.3048 22170.72226 48158.81743 44045.90962 43466.09983 38439.06552 38236.87837 29927.67491 30358.14001 30347.22693 2,3,4,5-tetrahydropyridine-2-carboxylate 615559.364 661534.011 559749.5764 650526.022 580868.9409 652954.7489 1239203.837 470854.3724 512167.145 525567.6831 300772.3086 347160.1983 290493.7179 630173.6002 235116.0885 517029.728 21-deoxycortisol 22467148 22792914 17847666 20084324 14856216 6241465.5 9312149 3423760.5 10773353 20461060 17533898 27433586 21441650 8125640.5 30433206 13237033 11255096 12627312 10609220 3676465.25 12710897 24683292 10541140 31330098 508097.0027 324150.5037 510161.7134 736817.6866 548984.6445 428715.4763 234851.731 385532.1718 33791.22267 438593.6776 130308.8109 182716.2764 220706.3231 610785.2969 364017.8762 198790.4663 25-hydroxyvitamin d3 60463.76129 67370.18464 225621.2146 60728.07661 131237.9631 17563.95797 60236.25435 20940.09287 99925.90204 75130.5003 18080.70094 23974.22702 23666.22172 43697.22489 34809.21035 64803.85176 2-aminoacrylate 8302164 7950264.5 8791366 9711987 8174321.5 7033528.5 6451681 7013618.5 6738533.5 6787517.5 7933491.5 8176168 7008257 6792136 6612504.5 5729546 4014846 6765145.5 6081103 4264379 4846927 6952229 4214544 5690960.5 549575.4401 689315.9953 516578.7363 619205.0854 815513.8447 593106.1677 662295.591 485195.0822 493614.8185 540639.5751 444563.4285 510099.4505 505184.5551 607291.4033 519536.6442 518292.0334 2-aminobutyrate 50272368 65695900 19548036 23279640 22585460 27923242 18214050 17452086 16276776 15622933 22424214 22557900 33759424 35744764 22385472 23457710 23985238 21910542 17664474 17357558 25837358 19683064 22710466 34795832 171819.9819 166371.419 67995.48287 828409.1009 165239.3834 247847.9062 420725.422 122191.8514 160951.0729 179664.7956 42395.77738 101487.2417 107441.5805 132445.731 108676.0217 52162.198 2-aminoisobutyrate 171819.9819 166371.419 67995.48287 828409.1009 165239.3834 247847.9062 420725.422 122191.8514 160951.0729 179664.7956 42395.77738 101487.2417 107441.5805 132445.731 108676.0217 52162.198 2'-deoxyguanosine 5'-monophosphate (dgmp) 1261545.25 445156.47 484095.75 2471223.75 1175229.5 575787.94 1445869.25 814946.81 955332.44 876932.94 392115.31 1011446.31 483183.94 477462.88 163690.56 224173.95 316252.34 520685.16 869214.25 355867.19 222269.16 295337.62 621356.5 369470.41 138277.9945 261467.1524 53653.52244 179610.3004 245078.3664 122457.4414 108375.4997 173126.1761 62678.00399 51508.3103 54043.96289 252666.8216 62685.61239 8787.867958 39088.35997 39610.45713 2-deoxyribose 5-phosphate 1079882 910269.5 1024034.19 1192594.38 976890.62 1326068.88 914922 1108732.75 984332.19 1168714 1045397.25 1165501.88 1368917.12 1244753 957487.06 1020787.31 2-deoxy-ribose-1-phosphate 1079882 910269.5 1024034.19 1192594.38 976890.62 1326068.88 914922 1108732.75 984332.19 1168714 1045397.25 1165501.88 1368917.12 1244753 957487.06 1020787.31 2-hydroxycinnamate 62561216 57295548 69301728 47487980 97875312 90377624 110672280 59857116 47677544 51080884 47735284 53205040 52084980 49068600 49653856 52454820 2-hydroxyphenylalanine 69083980.36 70242444.5 79891024.68 52443108.63 120023931.4 102552370 132570673.9 66622047.93 55163078.87 60153854.82 56174448.13 62088164.11 58158064.47 55878779.98 58817111.59 59411641.77 2-methoxyestrone 157678.173 126767.0183 135999.5313 127575.1702 128000.6386 135502.6503 129839.7434 128283.3894 117282.8919 132524.1866 131393.4769 148397.0284 117417.6304 115461.2809 133545.4102 134388.8083 2'-o-methylguanosine 126990.0742 172979.2866 146796.7085 114173.9857 121860.8493 110407.6089 114599.5984 157044.6735 104257.2068 85767.18868 107198.163 103545.9961 136404.4213 114390.5062 134117.8635 84923.74549 2-oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline 853160.44 981065.62 814519.62 467480.91 704347.81 695395.38 764239.5 1273261 1032513.5 1551253.75 1559842.62 357746.97 1384153.88 1330798.25 715085.94 888632.25 421683.06 1161300.25 1094531.75 547335.69 785819.44 727362.62 598134.38 863201.88 239089.7433 505939.4804 537129.8544 259194.7073 277676.2767 319038.6795 308913.8529 346434.9116 414062.0018 429334.2928 187373.1646 132771.092 347778.9707 205765.4975 84394.93124 178368.8549 3,4-dihydroxymandelaldehyde 619527.62 307724.53 429861.5 799887.75 2469705.75 339102.62 274534.03 1007363.69 368798.53 308876.91 462839.09 361901.72 70527.23 202904.77 333940.72 187710.02 219188.97 431326.22 318267.34 276327.34 105087.33 216975.58 255535.73 280355.8355 100394.4627 129815.4487 150819.6782 128852.2523 123096.4534 119358.3152 93263.13236 100615.1622 88214.64508 78241.62446 77219.38773 96567.7822 74950.2018 126312.9831 95717.86705 114861.4637 3,4-dihydroxyphenylacetate 619527.62 307724.53 429861.5 799887.75 2469705.75 339102.62 274534.03 1007363.69 368798.53 308876.91 462839.09 361901.72 70527.23 202904.77 333940.72 187710.02 219188.97 431326.22 318267.34 276327.34 105087.33 216975.58 255535.73 280355.8355 100394.4627 129815.4487 150819.6782 128852.2523 123096.4534 119358.3152 93263.13236 100615.1622 88214.64508 78241.62446 77219.38773 96567.7822 74950.2018 126312.9831 95717.86705 114861.4637 3',5'-cyclic amp 405286.78 367653.75 370331.62 504718.81 457878.31 378812.28 415386.5 377758.09 479763.06 422291.72 441939.69 474353.31 293458.34 349308.34 359008.34 314137.47 308195.84 390021.94 529212.69 459972.75 377109.44 688186.81 427251.06 446204.44 3'-adenosine monophosphate (3'-amp) 138277.9945 261467.1524 53653.52244 179610.3004 245078.3664 122457.4414 108375.4997 173126.1761 62678.00399 51508.3103 54043.96289 252666.8216 62685.61239 8787.867958 39088.35997 39610.45713 3alpha,11beta,21-trihydroxy-20-oxo-5beta-pregnan-18-al 2334333.75 859499.44 4134392 1806835.38 1269040 573921.88 387889.25 632857.06 2323769.5 1775862.5 507768.31 629670.69 1241377 392375.53 7021244.5 1553932.75 537312.56 519151.09 1037871.38 420497.03 3580999.25 2862684 436453.53 1343001.62 663459.12 360018.97 774707.62 504196.47 436055.78 244461.19 420729.94 629959.19 594596.81 556133.56 373106.25 425990.12 614133.31 488789.66 494785.97 566817.69 3-carboxy-1-hydroxypropyl-thpp 30018.67261 30051.95687 28152.95648 29285.52925 30449.37843 30075.58192 29898.27726 28748.08824 27954.39317 28474.05222 19102.61227 37628.69292 31839.19418 26642.85749 35862.73127 26734.17298 3-dehydrosphinganine 277765.9331 232181.7129 247606.7707 184314.8845 229872.0457 191436.2746 184525.895 169848.8237 202219.7116 202691.2841 163837.2872 152478.6474 134262.0721 191058.0155 200754.6149 216721.3566 3-hydroxymandelate 100394.4627 129815.4487 150819.6782 128852.2523 123096.4534 119358.3152 93263.13236 100615.1622 88214.64508 78241.62446 77219.38773 96567.7822 74950.2018 126312.9831 95717.86705 114861.4637 3-hydroxy-proline 2971097.182 2813502.342 2141888.748 1969803.728 3920071.924 3646599.432 3548019.856 2796909.453 1798854.482 3130482.752 2839383.843 3588646.491 3382927.251 3326235.755 3937855.269 3146057.823 3-o-methyl-dopa (3-omd) 2618965.5 1538844.5 2268555.5 2202777.75 1640468.88 1357387.62 1615162 2323424.25 1587377.38 1717614.62 2422621.25 1771597.25 1754701.75 2644993.75 1365423.75 1274161.25 1352094.62 1411448.38 1763908 1996648.5 1797465.5 1951014.38 1125297.88 1836661.75 851040.38 570682.12 640056.56 680561.25 1111468 950909.94 1093082.88 1120193.38 876453.25 738143.06 569131.81 597817.31 580620.38 570157.38 664632.5 676827 3-pyridylacetate 61946.78344 52967.12179 58259.54619 19269.99899 104098.4178 202146.544 140458.2838 73445.62053 23407.53534 33783.96323 69334.06032 98056.86764 147915.9237 31576.95959 5637.799318 54311.61178 3-sulfolactate 11928.35982 28508.74326 12874.31584 14894.21403 15743.92686 22047.37874 6117.382567 21486.6182 8131.571066 6293.067329 25378.29817 32181.53004 16843.18636 15558.59576 27975.92451 21285.80069 4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoate 81662.02172 71054.56987 91060.89592 89672.40085 62668.9161 86908.60729 59169.82637 55534.50218 21948.50515 80481.7425 91897.3366 99592.54762 82398.07868 84118.11546 94383.48128 86822.18664 4,6-dihydroxyquinoline 3505838.75 3108200.5 2773963.25 5706929 7129921 3372190.25 1471265.25 1965622.25 1902516.88 2652201.75 2837648.5 2248465 1471988.38 1636531.12 756160.06 1365327.88 842571.06 3095810.25 2337865 7016260.5 1920559 2006316.25 2912166.25 2299352 1493311 2195164.75 937608.81 2216984.75 1273592.5 1780211.88 1023643.94 1226384.88 2692929 798816.44 1221005.25 1277411 1284232.12 901284.06 1645255.25 459975.84 4,8-dihydroxyquinoline 3505838.75 3108200.5 2773963.25 5706929 7129921 3372190.25 1471265.25 1965622.25 1902516.88 2652201.75 2837648.5 2248465 1471988.38 1636531.12 756160.06 1365327.88 842571.06 3095810.25 2337865 7016260.5 1920559 2006316.25 2912166.25 2299352 1493311 2195164.75 937608.81 2216984.75 1273592.5 1780211.88 1023643.94 1226384.88 2692929 798816.44 1221005.25 1277411 1284232.12 901284.06 1645255.25 459975.84 4-acetamidobutanoate 665911.94 1017876.75 493885.41 881574.75 330917.38 378559.28 360102.59 371489.91 448575.06 470588.47 547022.81 320551.09 991465.5 612691 675676.94 1236883.5 880407.31 942777.31 659383.56 623288.56 776460.81 905039.88 367037.78 725435.31 73065.00141 595.9077192 1843.370476 145923.3117 11688.30699 158672.5687 26641.6243 2156.95262 214577.342 8647.050883 583050.3565 74213.26524 919343.0579 6100.266267 821034.4565 353209.998 4-aminobenzoate 64499.87479 52967.12179 50850.51213 19269.99899 104098.4178 202146.544 140458.2838 70207.02503 23407.53534 33783.96323 69334.06032 98056.86764 147915.9237 31576.95959 5637.799318 58654.02764 4-coumarate 62561216 57295548 69301728 47487980 97875312 90377624 110672280 59857116 47677544 51080884 47735284 53205040 52084980 49068600 49653856 52454820 4-guanidinobutanoate 1206497.38 740569.5 1761949.5 2768631.5 1485151.75 1696702.88 1463154 4388093.5 2401889.75 1071361.38 4227011.5 2134431.5 655873.12 981956.12 648528.75 655188.38 583914 803093.62 1531403.5 2295578.75 874701.25 1066173.38 1364703.88 1079689.75 4-guanidinobutyrate 292013.9621 490797.59 98899.69 152745.22 1034096.56 1033485.5 919989.62 21117.55 157846.89 379032.81 239438.19 159783.75 461864.44 167516.19 31742.26 215028.6397 4-hydroxymandelate 100394.4627 129815.4487 150819.6782 128852.2523 123096.4534 119358.3152 93263.13236 100615.1622 88214.64508 78241.62446 77219.38773 96567.7822 74950.2018 126312.9831 95717.86705 114861.4637 4-imidazolone-5-propanoate 104730.5738 99828.19276 75743.42935 91874.46476 113989.0687 108830.8678 111040.5677 82996.86283 84414.29705 86932.94118 108110.4066 58605.37245 90492.15772 86624.07911 91956.47576 75913.07662 4-methylthio-2-oxobutanoate 945742.0566 1026812.823 1010866.4 1036405.142 986679.5235 1028084.325 863925.7277 991360.4826 867609.2717 810707.488 953096.3983 933808.0729 903856.44 1149336.88 1383007.88 751827.94 1252374.75 1728309.38 939208.56 984418.69 813933.0581 730027.69 229218.78 610092.56 5,6-dihydroxyindole 37734.38256 45154.61367 38133.49192 35315.79272 43697.73452 38962.19428 44077.72883 22831.90952 37128.4297 36345.19755 29695.13935 30624.30906 33131.76745 28221.20425 29188.03731 31576.25592 5alpha-dihydrotestosterone 92621.33595 30721.95074 15728.26069 29572.55689 84518.11409 27496.64942 44487.4494 4113.424182 8944.257313 28465.18836 12182.95106 37469.82215 43561.78985 6726.651769 43127.87994 10773.69524 5alpha-pregnan-3,20-dione 65937.59778 8237.166973 20848.04809 370381.5338 36218.27228 32645.31409 50352.29158 262.4680577 167572.1218 168416.5398 70895.13781 97609.48665 106733.0126 259048.8201 83418.13957 224715.0181 5-aminolevulinate 2971097.182 2813502.342 2141888.748 1969803.728 3920071.924 3646599.432 3548019.856 2796909.453 1798854.482 3130482.752 2839383.843 3588646.491 3382927.251 3326235.755 3937855.269 3146057.823 5-hydroxytryptophan 487041.28 652654.38 586182.81 596066.56 867696.12 665443.44 924796.81 1138981.75 472355.75 641539.12 397727.22 350568.25 610752.25 542159.19 331222.94 644778.06 5-methoxysalicylate 100394.4627 129815.4487 150819.6782 128852.2523 123096.4534 119358.3152 93263.13236 100615.1622 88214.64508 78241.62446 77219.38773 96567.7822 74950.2018 126312.9831 95717.86705 114861.4637 5'-s-methyl-5'-thioadenosine 1397439.62 1424320.75 1387074.38 1625353.75 1180898 1005136.5 1098269 1306676.5 1184130.5 1474558.62 1437397.5 1503242.38 1376117.25 1094332.25 1429880 867246.25 750136 1194859.12 1158171 995736.38 779988.94 892119.38 997040.94 1053730.38 44408.26 256236.2 242457.41 171746.98 173225.53 198498.05 55328.5 131797.55 21912.41 89803.5942 79522.54 44045.65 33830.88 166358.52 43996.84 196381.11 6-hydroxytestosterone 102794.5541 65835.902 117272.1704 85185.70825 41798.46124 107532.3264 63180.38187 77024.5757 16508.25723 99192.69673 60056.65098 83933.03036 36792.51355 37441.41366 65648.58917 70716.68775 6-methylnicotinamide 53183.61141 63262.3496 37092.60855 42071.24116 65950.39756 50743.62675 41977.3048 22170.72226 48158.81743 44045.90962 43466.09983 38439.06552 38236.87837 29927.67491 30358.14001 30347.22693 7alpha-hydroxydehydroepiandrosterone 102794.5541 65835.902 117272.1704 85185.70825 41798.46124 107532.3264 63180.38187 77024.5757 16508.25723 99192.69673 60056.65098 83933.03036 36792.51355 37441.41366 65648.58917 70716.68775 7alpha-hydroxytestosterone 102794.5541 65835.902 117272.1704 85185.70825 41798.46124 107532.3264 63180.38187 77024.5757 16508.25723 99192.69673 60056.65098 83933.03036 36792.51355 37441.41366 65648.58917 70716.68775 7-methylguanine 1281079.25 1175843 1239527.5 2154818 1393317.88 1543607 878084.19 771458.5 1020206.25 1292872 1147503.25 974299.88 1156504.12 1348637.88 1497574.5 1795876.62 1537940 1491272.75 1348988 1417760.25 953197.69 1252195.62 1229277.62 966921.38 51266.68379 138788.9891 9714.038924 78848.25664 1511.729796 38389.65639 104515.0326 81558.80675 4788.17789 30389.21107 3178.917141 22.46392061 123720.0857 69602.1561 300.9541619 555.475997 7-methylguanosine 126990.0742 172979.2866 146796.7085 114173.9857 121860.8493 110407.6089 114599.5984 157044.6735 104257.2068 85767.18868 107198.163 103545.9961 136404.4213 114390.5062 134117.8635 84923.74549 acetylcholine 15826209.1 11251656.1 7625721.437 8988214.866 14345062.87 11427839.12 10057414.71 11942412.26 5570002.222 6730546.888 3660689.331 9230965.272 9711274.72 7578864.055 8255929.365 7009746.071 adenosine 5'-monophosphate 1261545.25 445156.47 484095.75 2471223.75 1175229.5 575787.94 1445869.25 814946.81 955332.44 876932.94 392115.31 1011446.31 483183.94 477462.88 163690.56 224173.95 316252.34 520685.16 869214.25 355867.19 222269.16 295337.62 621356.5 369470.41 138277.9945 261467.1524 53653.52244 179610.3004 245078.3664 122457.4414 108375.4997 173126.1761 62678.00399 51508.3103 54043.96289 252666.8216 62685.61239 8787.867958 39088.35997 39610.45713 adrenaline 213778.8809 208894.2579 235054.9525 209604.0062 196009.0358 182969.2326 196391.0049 217434.8572 222857.0586 202721.5217 194301.9538 178301.5434 226343.1246 210347.7949 257225.4136 194669.1939 adrenosterone 157678.173 126767.0183 135999.5313 127575.1702 128000.6386 135502.6503 129839.7434 128283.3894 117282.8919 132524.1866 131393.4769 148397.0284 117417.6304 115461.2809 133545.4102 134388.8083 air 179165.2782 283856.802 245134.201 68506.52584 262111.2087 74899.17686 199581.9095 555402.4222 283251.8525 378514.6728 464414.5486 473361.3453 42906.214 17085.09049 371708.7882 97730.07464 alanine 38924400 47406328 29160386 51612168 23844616 56016828 42113068 38308520 29393658 32519046 52037240 39215912 35047064 33026974 38401108 32775572 22094298 46918684 42764432 30619534 30155280 26754796 40167476 41980496 15512748 20576808 17271006 13512447 25181256 21376606 25373002 11814441 15163031 14954761 15410361 24422860 16097326 20587128 18118124 12840150 allantoate 183425.8645 111179.9933 132004.3932 144397.2854 168673.2675 206178.7846 126110.2241 148518.6143 26616.75626 106499.9532 82301.82384 120882.677 118991.0651 126253.7407 102212.3047 112592.8635 alpha-aminoadipic semialdehyde 665911.94 1017876.75 493885.41 881574.75 330917.38 378559.28 360102.59 371489.91 448575.06 470588.47 547022.81 320551.09 991465.5 612691 675676.94 1236883.5 880407.31 942777.31 659383.56 623288.56 776460.81 905039.88 367037.78 725435.31 73065.00141 595.9077192 1843.370476 145923.3117 11688.30699 189226.0828 26641.6243 2156.95262 258129.9688 8647.050883 583050.3565 74213.26524 919343.0579 6100.266267 821034.4565 353209.998 alpha-linolenate 270206.09 244471.41 374923.84 238219.8 467410.53 89366.62 136284.45 100667.68 136909.92 63907.89 72987.16 90247.79 107619.05 152968.27 166347.2 237004.09 310379.19 180145.89 175702.56 206206.86 262601.41 163391.55 146000.52 234365.78 3670162.072 3379831.718 3690069.744 3315952.196 3317920.131 3657733.957 3232376.507 3379392.707 3433646.672 3400426.903 3027509.264 3434432.685 2866542.586 3076685.004 2985179.846 2705733.631 alpha-mannose 1-phosphate 97137.76196 145887.0619 89410.78743 154170.084 114660.1164 121237.8258 64526.95515 74056.78371 71642.6977 98403.30813 72610.45061 41880.49206 76604.59271 90638.96152 103571.1585 118988.5394 alpha-muricholate 178659.59 266621.94 503151.19 77775.33 1119876.75 157406.03 521998.44 1659141.5 377874 305328.31 1327824.12 331224.78 360461.22 197493.52 935163.12 224160.23 1131711.12 538933.38 282854.47 4788112.5 204087.2 435678.16 323284.38 254313.62 40037.53647 48598.58284 51450.19137 37918.30255 43782.26517 23724.84937 30769.7777 73208.34925 30472.74903 28210.70982 31394.82191 39649.88903 33723.22757 30845.83726 28607.54765 14045.40557 aminoacetone 54418338.16 54559402.24 54050820 55100875.36 54212254.88 53881156 55144164 53567424 54190899.36 54829748 58086420 54848965.68 55787028 52025008 54235941.72 54082007.72 53285664 54354056.28 54292989.08 54234845.92 54182914.24 54417137.04 52622952 54112513.4 androsterone 92621.33595 30721.95074 15728.26069 29572.55689 84518.11409 27496.64942 44487.4494 4113.424182 8944.257313 28465.18836 12182.95106 37469.82215 43561.78985 6726.651769 43127.87994 10773.69524 anthranilate 65679.57837 52967.12179 51349.23678 19269.99899 104098.4178 202146.544 140458.2838 66885.13127 23407.53534 33783.96323 69334.06032 98056.86764 147915.9237 31576.95959 5637.799318 53204.27994 arginine 92843488 66914664 86641400 130286568 77164032 93102112 129571528 195702432 81095752 64769408 167486976 105269608 86796600 124519008 62474768 60028912 58473276 82344504 110254928 85091760 64317072 59443224 86603912 68522032 22835656.28 19254981.2 20776788.13 20356466.5 42326827.6 33037319.21 42028076.77 19264657.29 18507549.28 21095285.69 15070902.84 21439212.78 21951183.11 25683530.23 21192774.56 18285321.1 asparagine 29012116 23062482 23385856 29834754 22915854 25917428 25627646 39683128 20423238 18630146 51516052 29542118 39305024 30894556 30405316 20799412 17682434 28028116 25479434 18998328 24049258 18854026 19945458 20395234 2985808.199 3618781.631 2349778.05 2177832.413 5674246.067 4624658.16 6065971.539 2121426.257 2507980.939 2328971.183 2799604.496 3556627.019 2862937.891 3559669.618 2839770.465 2587644.235 beta-alanine 38924400 47406328 29160386 51612168 23844616 56016828 42113068 38308520 29393658 32519046 52037240 39215912 35047064 33026974 38401108 32775572 22094298 46918684 42764432 30619534 30155280 26754796 40167476 41980496 15512748 20576808 17271006 13512447 25181256 21376606 25373002 11814441 15163031 14954761 15410361 24422860 16097326 20587128 18118124 12840150 beta-alanyl-lysine 37954.02041 14672.04104 5123.482436 6140.70206 33738.47424 44642.02053 30823.20141 16356.99382 428.830084 13213.84061 1318.23442 16201.57085 34861.9476 11631.24078 11349.89432 3496.820149 beta-estradiol 50954.9005 62265.6529 57244.93913 44884.52529 52811.80272 36510.21163 44871.18538 43471.00748 81136.82595 49701.70589 50225.33618 53924.98521 37678.59742 45606.88148 73902.50724 53966.71666 betaine 5614162 12467264 8224723.5 14048706 7855436 9107383 6239135 8554093 7859425.5 5707847 8585878 6344197 7161661.5 7117726.5 7974747 6471560.5 5267497 6254638 7586259 5896417 7827769.5 5706748.5 5814368 7274406.5 18809885.57 23633596.57 18360882.54 13791619.18 29140829.88 26925407.88 30714239.53 25264088.13 21638285.19 19876278.26 17642218.69 20333449.58 21507578.03 17536724.49 19030597.92 15538786.01 betaine aldehyde 330484.1084 349789.1913 306222.9471 329034.2509 367973.2584 383140.8014 386681.803 345411.5247 337045.6634 306113.5966 321510.6294 309757.4105 330241.609 316879.1278 292524.56 294655.8319 beta-muricholate 178659.59 266621.94 503151.19 77775.33 1119876.75 157406.03 521998.44 1659141.5 377874 305328.31 1327824.12 331224.78 360461.22 197493.52 935163.12 224160.23 1131711.12 538933.38 282854.47 4788112.5 204087.2 435678.16 323284.38 254313.62 40037.53647 48598.58284 51450.19137 37918.30255 43782.26517 23724.84937 30769.7777 73208.34925 30472.74903 28210.70982 31394.82191 39649.88903 33723.22757 30845.83726 28607.54765 14045.40557 bilirubin 2856169.75 10051352 18244576 11438078 11387610 2429367.75 2653088 2465394.75 37989.47 2122766.75 3125895.5 591162 4870121 1423136.75 14140241 5775616.5 8078659.5 17830618 3494763 231985.72 2152067 45721.72 3029141 28056.6 6290353.604 13995977 4388114 6365988.054 5226893.807 10073.71 1451256 7003834.624 7640553.915 5783821.314 5862487.403 4872951.392 4304746.5 1671845 6186778.512 11781790 biliverdin 13766410 14282585 25090888 12330570 17147684 2494154 1647252.25 1080484.38 2691479.25 1511053.75 1555161.88 2306334.75 3564953.25 2500157.25 7943603 5890280.5 10831894 10956119 6263653 5622241.5 6259048.5 6859036.5 3825722 6780338 calcitriol 204254.044 157556.1324 220287.2805 144327.0855 150287.8929 128835.3302 182101.4316 151119.3811 141293.0466 143742.9772 156496.8077 142151.4687 208197.0368 174683.4774 194738.8173 176583.7633 carnitine 1906059776 3185925888 1557382016 2407754496 1439953664 1341120000 2929520384 3199778048 2243220480 2214938368 3097776384 1718211712 2124037632 2483892480 1876798208 1617460608 1546292224 2028851200 3085329920 1901241984 2173419520 1908831232 2305182976 2431826944 197285641.1 88157919.54 111592956.2 114744355.9 131189325.6 172783702.1 126038627.5 146948906.1 72070290.22 108059026.6 47859432.18 127925046.9 123728554.6 87919057.18 100605332.3 118992755.2 chenodeoxycholate 5807817.5 1621224.25 1159255.38 3624815.75 21484436 271010.28 2296640 6473679.5 4769457 558662.94 5685983.5 1655754.12 2383082.75 1561230 3161548 2092841.5 4119659 11853876 3244011.5 8341319 3273997.5 1297375.88 2966110.5 311155.5 155133.3252 295211.2791 177972.093 143119.3392 134983.7596 178330.3972 151611.4945 60368.14866 216199.261 171925.8106 182678.6017 139484.9754 194093.6632 140265.3621 196399.045 156363.2173 choline 20559515.72 15210333.05 18877106.77 15529849.79 22333498.8 18405992.29 15875913.91 14891884.86 13897268.86 18151649.43 13714549.81 15783102.12 15231311.94 14384030.31 15272916.47 16614471.48 cinnamate 10213131 12654703 11596175 22701136 9959523 12562341 10457722 13042156 13341511 10289551 17334644 12661075 17158014 12543000 17896070 18819152 11436354 17822396 15982275 13592951 16608049 15082015 14855576 13007958 1965637.447 2230540.981 1696548.655 1475902.499 3220979.938 2131192.68 2432367.327 1769332.976 1200965.776 1483864.647 1680639.829 2068274.791 1790324.515 1771736.574 1650263.646 1599530.654 cis-4-hydroxy-proline 1825633.62 893257.25 1855477 4773493 1983156.38 3196669 1733141.5 3025261.25 2092913.25 2087224.25 4459430 1745343.62 2143010.25 1732435 1499972 2339424.25 898864.12 1699262.62 1820164.5 2298506.75 847766 1172792.62 1760088.38 921318.88 2971097.182 2813502.342 2141888.748 1969803.728 3920071.924 3646599.432 3548019.856 2796909.453 1798854.482 3130482.752 2839383.843 3588646.491 3382927.251 3326235.755 3937855.269 3146057.823 citrulline 3031794.75 1469734.88 3966364.75 3367942.5 5249730 3665735 6525704 11891331 6183127 2776453 8573795 6412084 63230.58 1253234.62 350780.12 909298.44 523429.88 654328.88 1942324 2860393.5 560659.19 412049.5 1725555.5 994678.81 2810909.25 3438018.5 3017341.5 2821421.5 3489107.75 4440704 4724063.5 2211689.25 2937465 3116741 4549444 4311788.5 5203132 3880920 4851293 2535318.25 corticosterone 22467148 22792914 17847666 20084324 14856216 6241465.5 9312149 3423760.5 10773353 20461060 17533898 27433586 21441650 8125640.5 30433206 13237033 11255096 12627312 10609220 3676465.25 12710897 24683292 10541140 31330098 508097.0027 324150.5037 510161.7134 736817.6866 548984.6445 428715.4763 234851.731 382181.056 33791.22267 438593.6776 130308.8109 182716.2764 220706.3231 610785.2969 364017.8762 198790.4663 cortisol 36605448 14759023 33362734 13977549 19872534 24041868 14843082 10066327 27318840 22333806 19027980 19148938 19686070 8317431 23165054 19988120 15522213 28679480 14264549 10812003 31985410 24135352 11866389 17792860 2793783.872 1392123.317 2330286.287 2456181.049 2418376.785 1929540.625 2576863.312 63780.45149 2077223.654 1988456.955 1629690.471 1779148.38 2436999.337 1993905.74 1705348.574 2381334.965 cortisone 8636980 8303188 13723286 5662225.5 7029223.5 7384412 8551334 9339999 13805168 8540144 10790179 5965615 6028384.5 5023797.5 9297298 5938327.5 3853269.25 7835046.5 5888405 6151637 8046310.5 6004854 6451938 5749598 1056152.007 863190.8004 1066630.086 1060113.56 1141529.808 655682.0176 1466328.382 23546.61985 789020.6245 949848.6891 924628.1639 983889.6736 1512493.219 1078936.829 1188520.56 1257545.744 cotinine 10317.95 1167377.25 260926.94 2031680.38 306602.94 21345.88 542289.75 1821837.38 1263016.236 1051112.162 1023223.103 928382.8821 923777.429 1098736.806 1615458 1188025.246 creatine 327252928 528935168 302895776 184654720 237262720 254882976 167574688 141477216 97901616 114046752 136321664 139903776 281161664 236566816 206086112 92237432 119916424 181520464 112423848 55217092 154898000 138586848 294042784 259758704 60604074.62 55564995.27 53459950.92 61233084.13 58090584.25 69177780.55 47345179.47 59245111.47 47349507.13 48456555.75 17776826.75 17098752.15 34087244.47 40222611.86 19039237.42 29515647.32 creatinine 904022208 1002457280 961366976 1268296320 1168364544 893007360 971377344 723064000 681525888 833643008 1042494208 945049664 803424000 923984768 816986240 974054464 916923328 1120919936 1116251264 771363648 651900672 765399424 1012557568 792081536 79546473.25 84577403.63 60151208.53 71087732.41 78688012.36 87918924.39 71636903.94 89616561.46 65716255.39 63755148.39 60897566.65 91104494.34 66800153.91 69648530.83 101179358.8 81466076.72 cystathionine 1640686.12 1406378.62 2568855.75 3356667.25 2969370.75 3269551.25 1667280.88 852860.88 940195.69 1453244.25 2147257.5 1911073.62 1141939.12 1766215.62 1395008.38 1275605 1293633.75 2784904 2311057.75 571627.94 665144.81 1848222.62 2134139.75 1116644.62 325332.25 325371.84 77329.19 120310.88 283070.5 523371.38 285185.53 292620.56 103190.45 167886.2 285583.22 385195 169178.16 254145.48 708959.56 414800.62 cysteate 116884.0669 92125.00076 115267.5699 85042.09588 87092.03452 59567.03309 82515.99395 59299.91124 60236.33161 94138.18594 120403.1436 100477.7871 80228.64548 68920.3766 108854.7954 65774.25415 cysteinylglycine 31972936 18532742 4928423 3989141.75 5850783.5 2837267.75 166060544 13991748 24618712 19691586 47021460 5881435 8138404.5 5315851.5 29716242 7066982 10424004 8067342.5 18961801.59 28659253.38 45227099.63 28968069.63 28513570.99 26766315.59 51540.27074 108160.221 63183.70746 59536.1197 57782.15434 110383.9072 73180.89112 44514.43824 6779.543143 1705.219625 29558.65629 42687.5738 46764.30841 63122.43089 100530.61 73173.39864 cystine 85121664 186596112 129668520 130632504 99347328 95641608 85125560 125373096 105254344 118464088 111767856 102882032 114216832 189428224 163863040 100858232 78872576 129263136 101891176 103310536 101581016 129865600 97221184 115193320 2192259.857 4264365.637 3298096.307 3685945.434 3488397.45 3567963.834 3548306.283 2823618.477 2338263.367 2919389.911 3646366.294 2794515.261 4178155.68 4043562.047 3167426.888 3546167.676 decanoate 137813.05 126549.14 192006.69 136576.62 61045.21 117796.66 95740.09 142292.53 147526.92 132415.69 130049.84 140505.58 120207.59 154837.3 202190.12 143277.19 deoxyinosine 34293.47 15353.08 82806.9 33817.89 45149.8 24654.8 15212.31 54149.3556 69261.468 50805.29 22841.68 16090.24 111147.15 64250.1113 201551.94 29254.17 31397.12 436864.22 49357.7357 29919.36 28435.1 20559.72 79912.39 12761.18 desoxycortone 2921713.5 1175351 2445707.5 2630551.25 1730758.62 1290825.12 1311784 2500022 2758745.75 1349835.88 1082369.25 795574.5 1079541.5 1750195.38 1443335.38 993077.94 dihydrocortisol 2334333.75 859499.44 4134392 1806835.38 1269040 573921.88 387889.25 632857.06 2323769.5 1775862.5 507768.31 629670.69 1241377 392375.53 7021244.5 1553932.75 537312.56 519151.09 1037871.38 420497.03 3580999.25 2862684 436453.53 1343001.62 663459.12 360018.97 774707.62 504196.47 436055.78 244461.19 420729.94 629959.19 594596.81 556133.56 373106.25 425990.12 614133.31 488789.66 494785.97 566817.69 dihydrothymine 11283252 13282779 9081390 25395848 19402914 11761245 38898908 28991752 7646923 11071942 30611968 10985448 8560475 11697984 6825353.5 10184071 10535576 8670025 40547896 16404707 7863350 11919143 28722636 16321443 1339101.253 1035121.894 848593.5168 1483110.145 1369419.497 1439249.711 993495.0848 1796799.657 546878.6278 653502.3607 525114.0036 2425545.516 2037417.236 1060802.247 983106.8206 1755527.886 dimethylarginine 41964780 26941858 40892248 65268636 38202284 37287404 21208158 29764288 28266898 30724066 31967750 33368570 35156492 34853032 36044944 35407592 33475036 32830196 28465042 24579526 22322508 36156244 27825626 29548988 dimethylglycine 50272368 65695900 19548036 23279640 22585460 27923242 18214050 17452086 16276776 15622933 22424214 22557900 33759424 35744764 22385472 23457710 23985238 21910542 17664474 17357558 25837358 19683064 22710466 34795832 171819.9819 166371.419 67995.48287 828409.1009 165239.3834 247847.9062 420725.422 122191.8514 160951.0729 179664.7956 42395.77738 101487.2417 107441.5805 132445.731 108676.0217 52162.198 dimethylguanosine 655276.25 535256.25 690778.94 1489877.75 676684.25 709264.06 505091.59 387732.12 523231.34 617588.69 570287.75 586266.44 565368.56 567447.31 664431.5 673579.62 573903.81 750122.94 670904.19 609687.88 532746.31 570417.5 594644.56 599726.5 83865.10528 121150.7966 99965.46093 75111.45602 75525.92508 91935.30258 66983.99345 129064.1453 46193.73741 50970.74459 53373.57694 62938.58393 61046.50681 59761.79086 62903.15388 49080.27695 dodecanoate 169047.33 155651.55 143226 159451.0286 158500.7 154734.66 151567.75 160430.5311 163237.94 162585.9743 200836.61 168742.7601 157187.64 174487.7 163186.27 147973.14 dopamine 199316.0817 161821.5126 187343.0783 208214.2822 174139.4209 174139.4594 165827.6376 180675.3437 153476.5259 196704.3359 166810.1295 193731.6935 161673.7571 165970.903 127908.9392 133866.298 dulcitol 1139207.88 1098158.75 824013.88 1491136.75 845956.06 975159.56 2322392.5 1145936.25 1149561.5 1372170.75 1631403.5 1254723.88 886359.12 1011973.88 1488734.38 862393.62 790186.44 1458980.38 10131.78 21826.67 13423.59 906521.8326 848232.0027 705038.0936 12146.51811 124449.3868 2014.121359 2548.656118 1932.777346 134930.2464 143919.2753 1782.492941 2487.241222 89913.33338 306805.899 477772.2039 426845.6412 265358.5442 367629.3416 310764.6598 eicosadienoate 173441.8851 162988.1276 207138.2851 156979.5653 126208.8031 148325.7698 104702.3333 164257.0469 124939.0139 156130.3297 148418.6254 158560.9309 188413.8998 167624.7786 160151.529 151544.7165 erucate 3260535.5 230914.55 2573961.25 5311408 82831.38 100973.74 191651.77 3643968.25 174810.42 274602.31 2695342.25 2747752.5 49191.09 341299.34 121170.44 217501.81 erythro-4-hydroxy-glutamate 435818.72 485213 586727.81 634454.88 569623.31 321165.44 356781.28 411897.47 477033.5 563758.44 378377.34 542546.06 341471.5 278526.22 286440.56 191964.92 138085.59 242232.73 379632.38 214770.56 258339.91 455855.78 239846.53 316806.66 55363.68055 38909.18014 28264.55202 58920.51323 46120.36333 61661.51597 47351.78831 43561.55325 50277.07777 53545.3532 54426.09467 60478.15591 66351.25007 63392.38845 56064.4048 44550.85205 erythro-sphingosine 1-phosphate 5258259.872 4748289.593 4082812.004 6764807.532 6621393.526 4256008.76 7091274.14 4245436.195 5292032.608 5683223.159 4268057.176 3596494.895 3779550.347 5265386.483 7029441.544 4917167.837 ethanolamine phosphate 2501778.5 1862178 2718654.75 3096096.5 2763566.5 1205987.12 2039723 780991.88 2254307 2186211.75 1218282.5 3917362.25 2411339.25 2312372 2516979.75 2588834.25 1273167.62 2669641.25 9698255 4337225.5 5934361.5 5205346.5 4509980 4420465 etiocholanolone 92621.33595 30721.95074 15728.26069 29572.55689 84518.11409 27496.64942 44487.4494 4113.424182 8944.257313 28465.18836 12182.95106 37469.82215 43561.78985 6726.651769 43127.87994 10773.69524 fgar 910414.2522 959244.5938 1100206.643 1325618.759 691310.947 1211391.202 521794.3658 570274.0399 525356.9965 1018673.322 988802.4721 1338990.97 1396803.277 1196697.15 677891.1381 711933.6556 formylkynurenine 3358034 2647489 2906368.25 2214754 1081286.25 2579204.25 1632869.25 1576062.25 2458122 1495887.12 1827251.88 1112003 5520215 3662099.5 10620810 2294543.75 3446735.5 5373728 2202589.5 2689931.75 4369984 2930183.25 2962301.75 2460439.75 1220475.75 4012346.25 1713319.12 1383851.62 3210347 1150019.5 1707457.38 2488391.5 1765127.25 1222485.75 1055972.12 1428896.5 1420759.75 925611.31 782556.12 926170.38 galactose 1-phosphate 415453.47 224835.31 379779.56 618328.06 276231.66 136377.86 892480.12 118713.98 265071.66 354490.53 220578.67 737421.69 261439.08 216050.3 349942 199395.5 95952.97 264196.94 637460.19 235233.53 645150.81 1011817.06 2628985.25 823964.38 97137.76196 145887.0619 89410.78743 154170.084 114660.1164 121237.8258 64526.95515 74056.78371 71642.6977 98403.30813 72610.45061 41880.49206 76604.59271 90638.96152 103571.1585 118988.5394 gamma linolenate 270206.09 244471.41 374923.84 238219.8 467410.53 89366.62 136284.45 100667.68 136909.92 63907.89 72987.16 90247.79 107619.05 152968.27 166347.2 237004.09 310379.19 180145.89 175702.56 206206.86 262601.41 163391.55 146000.52 234365.78 3670162.072 3379831.718 3690069.744 3315952.196 3317920.131 3657733.957 3232376.507 3379392.707 3433646.672 3400426.903 3027509.264 3434432.685 2866542.586 3076685.004 2985179.846 2705733.631 glucosamine 553878.62 497164.59 632821.88 462353.44 582245.88 378329.72 538174 441178.44 557472.69 681432.12 573689.25 664224.69 516807.91 406238.94 844262.19 368652.94 393575.91 572898 463766.59 343867.84 392293.38 620227.06 362096.75 457722.34 84100.28293 64584.62031 91954.5554 94238.07467 70261.11444 80416.92673 71947.83353 54147.73072 43369.72637 93054.06078 91478.21889 115910.7189 104320.0106 89277.34409 59642.33203 81254.34849 glucosamine-6-phosphate 185863.86 144995.39 153930.64 308622 118832.46 83314.83 73395.8 47728.34 78360.38 86616.17 54992.42 106293.71 122858.27 124419.72 124894.82 95461.44 34949.95 115516.98 129393.36 78046.62 90017.28 130662.12 85872.03 92900.65 130229.7956 169996.3465 135679.9235 129945.794 170471.9764 152756.9664 156378.175 210055.2385 99995.64473 142950.0371 144147.4639 154127.2344 142862.1807 100623.6282 111405.0277 124538.8519 glutamate 9937460 10544823 8261133 12698529 10817735 19003132 11692822 17921582 8161602.5 9549988 19125122 7275924.5 10265288 11242596 5923702.5 9266339 9487879 20860548 16855596 11219564 8471630 11073028 13589513 11519837 3341376.551 1456969.608 1642987.612 2146483.163 3728116.043 2269731.76 1896233.719 1554593.499 1923852.56 2729289.452 2366787.76 3660811.973 2541467.819 2908201.852 3785608.23 2603367.824 glutamine 208203696 142685600 200491760 180679792 210739456 149509152 148589712 223052096 171771616 177564448 245984160 202204656 204202160 263735856 73138680 120662752 133946888 175146128 146160400 102930120 122265520 160901648 123209616 120726576 41928642.37 44211249.3 48402176.48 47851750.17 63549472.41 62859519.86 66812345.48 45396196.82 52016672.96 48596690.01 48200409.34 68044021.34 52258988.03 62669112.6 68757173.35 55074001.17 glycine 9004089 10816045 5934492.5 4673860.5 6543445.5 9513487 8792845 12046783 5411170 7930704.5 12742045 8150694 10516647 10820059 5771508 6930368 6659875.5 6244822 6883329 5656504 5718339 6918834 5500745 7430654.5 6320987.962 5613344.248 5235405.013 5364318.458 5209259.043 5391070.218 6018533.957 4500327.714 4865042.041 4809171.157 5112412.292 5635628.282 5678385.678 5786147.19 6185863.647 5580212.081 guanidinoacetate 752547.06 398362.81 600877.25 1417244 1249963 1161187.75 1225865.38 4087478.75 600625.88 1011880.94 3003305.25 1005095.25 489021.5 1208533.62 107382.62 43562.67 516473.31 515938.47 739673.06 752268.62 339349.75 453909.03 466460.06 357186.97 736518.5 338889.53 705360.69 433605.66 1598339.25 1130030.75 1210669.38 580892.12 397746.59 428179.94 444745.16 791834 1221611.25 712609.94 1019056.38 1123935 guanine 31760.5696 54017.87008 29807.78454 37141.46791 48550.11025 28795.76785 49222.25504 56577.0996 33247.75806 26311.99726 25354.72532 28295.2242 37897.14456 31913.5955 33692.51151 23009.54089 heptanoate 24753.90999 28807.239 35292.91476 24387.23353 17101.4794 11548.19543 22388.42602 15353.87925 38985.83143 25039.51713 25024.0537 24823.19324 22022.28097 26675.93474 37217.49468 25374.2487 histidine 42037744 40541768 50301236 45711336 49413756 53333324 50437364 69276768 48768536 45524864 71846768 22882618 45009224 59637828 40592636 39220576 47456328 44647728 45223828 50490372 36287704 32508400 55764200 35058408 4780062.17 4795927.984 8277584.483 5449701.254 9219774.768 8879206.352 8571592.68 7882944.105 6266942.285 6236033.393 5616868.338 5264233.621 4714457.815 5560665.157 6604098.61 5250506.664 homoarginine 2856387.25 1331526.5 3843041.75 4604162 3157198.5 2365140.25 2604255.75 3354078.25 2880411.25 1757068.5 4360801.5 1462829.62 2242692.25 4658235.5 1250118.5 1386877.62 1792195.5 1900143.62 2888668.25 1099548.88 1729292 1094588 2609363.75 1091362.38 2423331.059 1060319.173 1543663.331 1315103.007 3231846.256 2398858.579 2955406.025 1846207.961 1287264.019 1753816.03 991377.803 1122331.483 766331.3761 923408.4244 1459277.962 1219058.762 homogentisate 619527.62 307724.53 429861.5 799887.75 2469705.75 339102.62 274534.03 1007363.69 368798.53 308876.91 462839.09 361901.72 70527.23 202904.77 333940.72 187710.02 219188.97 431326.22 318267.34 276327.34 105087.33 216975.58 255535.73 280355.8355 100394.4627 129815.4487 150819.6782 128852.2523 123096.4534 119358.3152 93263.13236 100615.1622 88214.64508 78241.62446 77219.38773 96567.7822 74950.2018 126312.9831 95717.86705 114861.4637 homoserine 2809382.407 3108973.927 2406773.375 2461968.894 6027064.844 4358898.385 5593577.474 2795234.004 2448532.077 3134663.431 2055667.325 3105217.479 2552356.218 3171812.733 2509470.565 2415270.205 hydroxycholesterol 24236.52101 50787.43886 11228.79406 20668.40926 15875.01375 20067.19531 18146.59601 16570.49791 19584.95088 8918.305157 18311.67154 10037.21982 24680.21109 11560.45925 41735.36426 8904.649442 hyodeoxycholate 5807817.5 1621224.25 1159255.38 3624815.75 21484436 271010.28 2296640 6473679.5 4769457 558662.94 5685983.5 1655754.12 2383082.75 1561230 3161548 2092841.5 4119659 11853876 3244011.5 8341319 3273997.5 1297375.88 2966110.5 311155.5 155133.3252 295211.2791 177972.093 143119.3392 134983.7596 178330.3972 151611.4945 60368.14866 216199.261 171925.8106 182678.6017 139484.9754 194093.6632 140265.3621 196399.045 156363.2173 hypotaurine 1288778.38 758605.56 1699704.62 2021460.75 975815.81 1235297.75 1896935 1983206.5 1936877.75 1057065.62 2063771.12 3058372.5 1063683.62 786590.75 1185287.75 780790.5 363088.81 1375027.88 2308113.25 2154393 1054719.25 739958.25 1710890.5 711374.06 76681.43389 296372.7981 81551.33592 31603.0789 36725.59261 93005.61608 57304.80443 37730.07314 41991.10271 7040.100661 65806.99314 19372.22286 167317.4038 29717.40581 26193.97342 4716.615884 hypoxanthine 212318832 66072096 142563552 52061932 55107260 53442836 47667012 43501040 48936376 63200824 53909716 71242640 47168596 32442990 6948922.5 50364940 7355132.5 71048272 33908596 68900528 15139141 59285920 67071656 42359436 6388813.747 2348658.895 3141341.466 3202493.951 3140326.46 2084553.459 3153164.772 5956173.788 3057553.427 3300580.824 888711.9296 1407867.581 1191267.552 2606715.573 2968120.05 2812089.982 imidazolelactate 104730.5738 99828.19276 75743.42935 91874.46476 113989.0687 108830.8678 111040.5677 82996.86283 84414.29705 86932.94118 108110.4066 58605.37245 90492.15772 86624.07911 91956.47576 75913.07662 indole-3-acetaldehyde 1857489.62 8995672 3371375.75 13556369 4358481.5 1817269.5 5519119.5 12274550 1151273.88 1251466.62 1227265.88 941827.31 1462234.75 1122037.25 11376337 1564929.25 indole-3-acetate 14270691 27128178 9221846 11898808 15045270 8952258 7424421 10960261 7484711 6640790 10648288 10085700 9734993 5541944.5 6413136 4107540.5 2626583.75 16359852 7101065 5499658 4733732 6448683 3770628.75 5721988.5 1998128.75 1902576.38 913670.19 1452779 3735379.75 3345907.5 3418044.5 1077688.62 974152.94 939922.38 4910813 1621695.5 1399030.38 829690.31 1306353.88 1176579.5 indole-3-acrylate 630203072 706821504 725402368 912356352 598940352 657770560 652254336 926322688 815711552 787649600 1033761024 633044608 406309792 547835136 301094688 387044096 295022784 373197024 639417280 549633088 413739744 411731424 384702144 529805696 95338098.88 142197866.4 113307781.1 116934138.3 176782505.3 128889057.5 169352736.3 95081197.52 108727400.1 126633385.2 88777576.29 82346080.24 117861488.6 108160605.8 78532406.2 114979056.6 indole-3-butyrate 50279.23971 22731.02896 22341.44849 24794.1774 23770.40958 31892.69829 29469.58476 5794.390264 24625.41703 35765.7896 26184.76713 27081.53574 26436.05666 21294.11546 27274.10806 26899.85782 indole-3-lactate 729683.31 1160779 736238.06 914918 852709.69 1264795.38 705028.94 1716517.88 1011047.62 576674.69 1341929.5 2062290.25 1675104.75 867092.19 1355362.62 579499.94 indole-3-propionate 64075.0368 60652.59034 58039.89308 51389.67544 93169.38674 69465.26846 71102.5122 48397.90562 39393.12321 52443.74945 53095.77125 72633.70239 58185.58945 57364.16978 56813.20457 47358.42283 isocitrate 579903104 570676416 536609440 1043964800 706589824 553660672 611303296 661685888 681038656 513513600 517297312 533415136 467301536 515008160 507229824 473590080 352567936 508705472 611278016 538817728 561995712 523284736 423653856 523749984 369795.44 165391.94 229636.41 305869.66 275271.69 661414.38 209488.38 279209.5 71678.62 249264.03 129651.95 232185.73 314798.84 311691.41 173202.41 117073.63 isoleucine 7485712 16975782 12275568 19484442 11538485 14242033 7193709 12117378 10051202 7637609.5 12126671 10502850 10587744 10377646 12212574 9583466 7986758.5 9008750 10493497 8503193 11187898 7773803.5 8091078.5 11610243 165085683.8 235264031.5 188648023.7 155963627.6 307254696.6 275638970.3 262111891.8 205567921.2 157018448.1 160176014.7 135109850.5 183103345 185367687.1 165794749 133230260.3 121985019.2 kynurenine 54415576 37480028 58815172 62796812 24307544 50928160 28343650 42104000 38275736 39754340 47193740 29238016 126431536 107055792 122924288 111381200 110747256 130837336 111462960 186034720 90881024 87748584 130416736 88080888 5440002.969 7243607.197 5753331.358 4464071.63 6931314.209 5657199.178 6636907.148 3746470.433 5419756.254 4835069.897 3751292.862 3276650.606 3864930.855 2979748.681 3239006.144 4208504.988 leucine 7485712 16975782 12275568 19484442 11538485 14242033 7193709 12117378 10051202 7637609.5 12126671 10502850 10587744 10377646 12212574 9583466 7986758.5 9008750 10493497 8503193 11187898 7773803.5 8091078.5 11610243 165085683.8 235264031.5 188648023.7 155963627.6 307254696.6 275638970.3 262111891.8 205567921.2 157018448.1 160176014.7 135109850.5 183103345 185367687.1 165794749 133230260.3 121985019.2 linoleate 2034899 2493229.75 2948283.5 1242962.25 2618564 858586.62 1281061.38 875318 1600051.62 695751.38 1076121.88 732552.94 1741081.62 1639305.5 2132056.75 2822867.75 2807448.75 1026410.44 1648522.5 2571027.25 3155462.5 1822960.75 2916388.25 2694328.5 1515340.577 1823140.013 1525408.781 1637873.747 1734828.735 1722360.808 1685869.11 1019577.567 1708489.743 1749562.077 1791757.038 1697064.291 1405834.662 1355690.711 1794380.132 1650354.31 lysine 44101808 51742920 40369860 48414864 40189240 59972128 42317620 63693216 42399588 41242952 58485380 45125100 52662476 72747648 38192360 32579958 38447860 39062272 47467212 32248112 38772724 29525938 37782476 36731024 50963148 41760096 40401172 38097624 67332296 63550392 65273432 35810284 37369484 43534548 26084012 25250996 29542060 45938560 25670166 42169920 mannose 6-phosphate 415453.47 224835.31 379779.56 618328.06 276231.66 136377.86 892480.12 118713.98 265071.66 354490.53 220578.67 737421.69 261439.08 216050.3 349942 199395.5 95952.97 264196.94 637460.19 235233.53 645150.81 1011817.06 2628985.25 823964.38 97137.76196 145887.0619 89410.78743 154170.084 114660.1164 121237.8258 64526.95515 74056.78371 71642.6977 98403.30813 72610.45061 41880.49206 76604.59271 90638.96152 103571.1585 118988.5394 methionine 256429568 366924512 204636800 461084896 262636432 345380608 348015360 483018528 316285984 266232912 512010784 253925296 239636192 302983872 154264880 193016848 172319312 312885632 352482752 304956800 243231392 169563984 240323776 233567056 31011372.71 41656852.75 32642853.57 30043693.79 61177415.29 49332492.44 54519560.12 25692824.43 23828229.66 25356619.57 18255051.91 29232739.64 30874635.02 29262271.73 23220170.47 27399791.64 methyl indole-3-acetate 2839732.298 849080.5403 833236.0927 2580389.632 1685978.144 1271530.71 4734983.553 156549.376 1996081.77 2428531.631 4598663.006 11530669.5 3292357.124 382935.6727 4850443.836 638594.5502 methyladenosine 3647436 2496009.75 4781235.5 5077278 3340176.5 2769655.5 2618222 2230006.25 3378047.5 3712505.5 2430743.25 2931864.75 3972201.25 3037325.75 4950245.5 3051307.25 3387327.75 2665620.75 3827060 3566161 3425639.5 3327078 2117381 3444471 methylcytidine 2987136.75 2446436.75 2564443 814130.44 1792456.38 369552.03 580616.69 3383774.75 1411951.38 4085345.5 2694587.5 3014608.5 2872883 2775983.25 3221198.5 332286.81 229742.39 636063.25 2206379.75 332681.69 861371.12 3735898 372686.5 2573442.75 2267271.5 1084049.12 708305.75 680806.88 251889 5973242 225524.78 1837261.25 766482.62 1021141.19 1376382 523467.44 11797308 4307951.5 1718426.75 1089756 methylimidazole acetaldehyde 2206460.628 2283517.855 2307379.582 2243889.151 2175115.537 2172207.334 2188948.234 2213819.998 2235659.959 2270598.979 2170790.47 2004591.319 2060069.353 2030841.903 1886795.799 2125063.733 methylimidazoleacetate 6104445.5 5311716.5 9403168 10884315 13983858 8881786 5835849 7382781 6668961 5732612 7694683 6270419 9530334 5552282 6854094 4406945.5 6373598 7060528.5 6487293 5403188 5594574.5 5934862.5 6182735.5 5042503 4091879.5 4064753.25 4546294 4196101 3903323.5 4399294.5 3959283.25 4044783 3990322 4034739.75 3829066 3737998.5 4107084 3557341.25 3777692.5 3628270.5 methylinosine 333816.41 237821.47 338123.78 829144.56 323135.81 541718.69 263476.94 243384.25 268111.38 346658.47 352778.88 339675.03 248588.52 302244.91 229200.22 329358.78 269719.5 440506.66 386895.66 382619.72 225666.27 291852.31 378737.41 267821.5 mevalonate 981470.62 583153.62 889872.5 884765.12 991724.31 693220.69 697707.94 1028246.5 770547.25 869468.94 1124168 968697.06 999617.38 1242116.12 511859.91 458935.38 618438.88 600214.88 608321.94 418267.88 536050.88 660465.44 516591.88 466985 220109.82 257375.2258 262091.378 268341.1682 338426.899 239987.3535 389953.0853 252899.3628 306686.095 270690.5675 269116.4723 344435.3003 281606.5132 326937.5537 315334.2456 252452.1384 n2-methylguanosine 126990.0742 172979.2866 146796.7085 114173.9857 121860.8493 110407.6089 114599.5984 157044.6735 104257.2068 85767.18868 107198.163 103545.9961 136404.4213 114390.5062 134117.8635 84923.74549 n3,n4-dimethyl-arginine 3354666.379 3098424.039 3251322.478 2680888.042 3415864.785 3504798.862 3015957.848 3048677.895 2342648.023 2430346.377 1947025.922 2145386.857 2212261.696 2762014.407 2588361.099 2777514.274 n6,n6,n6-trimethyl-lysine 384529.6487 430031.6057 317664.5557 221244.5533 523074.3225 483505.7554 441620.3675 303382.5269 203514.8119 372700.4706 272307.8021 387850.2038 248063.5503 190185.1805 328012.2082 188818.6233 n-acetyl-asparagine 20697.44 366788.5 169171.19 117464.46 1331672.5 718054.81 810164.44 495599.81 104709.02 10082.38 33044.79 383173.03 198147.91 78864.78 33893.39 139585.2866 n-acetylornithine 2433555.5 4294490 3581472.5 2179215.25 614406.31 3466623 971785.94 2762484.25 2355757 1913878.38 4547120.5 4042556.5 8581833 4220624 4734960.5 1766168.12 n-acetyltryptophan 454022.1077 712882.1704 173136.5494 480368.1766 422751.4965 411925.1905 223482.8408 90436.04768 343467.5126 144947.6176 254081.9058 304483.2971 278889.8318 121099.8546 353952.7851 180614.4588 nadp+ 128408.2167 57390.61926 64354.30126 110804.3705 82993.81209 139851.9761 96246.2262 88091.98894 76853.65395 90864.30944 120427.8727 82118.61747 137257.3896 157412.8967 81675.10373 102775.0868 nicotinamide 28300346 13464285 33095304 32169206 24510638 55414176 13655304 25956908 34984296 37003888 26138044 38467228 24952604 27503216 33827104 13089821 17405548 63633652 25027810 17535094 15115866 15292250 24101462 26738742 1036933.883 1617896.637 1633904.078 1334970.601 2309419.478 1863718.924 1872157.611 2000564.452 2034941.866 2658387.946 1191009.269 1021382.184 1378628.149 1526559.924 1550858.856 2244936.604 n-isobutyrylglycine 73065.00141 595.9077192 1843.370476 145923.3117 11688.30699 185733.6446 26641.6243 2156.95262 283719.3506 8647.050883 583050.3565 74213.26524 919343.0579 6100.266267 821034.4565 353209.998 n-methylnicotinamide 53183.61141 63262.3496 37092.60855 42071.24116 65950.39756 50743.62675 41977.3048 22170.72226 48158.81743 44045.90962 43466.09983 38439.06552 38236.87837 29927.67491 30358.14001 30347.22693 norfenefrine 199316.0817 161821.5126 187343.0783 208214.2822 174139.4209 174139.4594 165827.6376 180675.3437 153476.5259 196704.3359 166810.1295 193731.6935 161673.7571 165970.903 127908.9392 133866.298 norleucine 165085683.8 235264031.5 188648023.7 155963627.6 307254696.6 275638970.3 262111891.8 205567921.2 157018448.1 160176014.7 135109850.5 183103345 185367687.1 165794749 133230260.3 121985019.2 normetanephrine 213778.8809 208894.2579 235054.9525 209604.0062 196009.0358 182969.2326 196391.0049 217434.8572 222857.0586 202721.5217 194301.9538 178301.5434 226343.1246 210347.7949 257225.4136 194669.1939 n-phenylacetylglutamine 27496504.9 43312834.12 10369409.07 29076603.38 26431151.81 26506188.73 13967214.47 19763308.3 23452917.04 8765912.488 15454148.65 18803441.49 18630209.24 7990881.1 21534675.43 11004249 palmitoyl glucuronide 1645130.75 1312185.12 2389523.5 1019172.88 2103752.25 2410999.25 1158160 2439582.5 2875363.5 1364552.12 1171242.12 910953.94 1728624.38 1614286.88 1848085.5 966007.44 3154590.25 1598648.62 1279676.62 1401951.75 911928.94 894056.81 2499048.5 594605.81 palmitoylcarnitine 20162310 88303712 34786216 30354556 32167404 21483710 17481088 32209528 32437326 18087102 59066608 36962924 34115752 28884474 38177024 80236456 55030756 28484978 56395700 116494704 133815496 58748880 50025060 144703744 palmitoyl-serine 746097.88 1436618.88 543253.25 716103 578280.81 2978071.168 243984.78 127727.27 145024.56 2356645.487 1447925.915 115748.91 4185008.5 3364777.75 7789629.5 3184549 5250023 15209068 4071871 4425611.5 4301811 2522357.75 4368298 2366443 46168.16824 40938.7233 52222.54328 36268.71091 52455.7121 37607.57676 45428.75895 31772.09622 48473.30613 30959.53172 43767.62132 39815.05396 25896.33238 32367.20526 45732.29041 32028.63832 palmitoyl-threonine 462636.03 854118.31 2173323 1042003.81 693628.88 327566.34 2371481.655 240440.75 1697929.963 2272372.855 1515880.856 241722.17 1003983.62 1534342.38 16479018 3645613 3420185 12245039 1303897.516 475471.5 1067666.88 419019.62 512938.41 848925.81 10288.28965 50834.60737 5364.01136 8389.665766 21109.27524 7952.660531 14782.30978 22274.36443 721.5508851 13593.73075 12316.23329 14290.82198 14267.8501 14418.37512 1672.27947 599.1220799 pantothenate 3205923.75 2617510.5 3367742.25 7063334.5 2289330.5 4354856.5 2117112.75 3058636.5 2428469.75 4761698.5 4715759 7718093 1826727.88 2048157.5 1512180 2185736.75 1260134.25 2338516.75 2349203.25 1891697.75 1313412.75 2265980 2530631.75 3508563.25 216795.67 727645.31 274661.3045 42584.43 430874.78 68019.36 425030.69 128163.72 377490.94 423595.88 180666.84 254217.28 219830.5424 250320.6832 242976.61 306311.38 pentadecanoate 65012.02608 66982.49654 72359.37938 68754.92054 67095.90167 65638.89868 64857.40264 57751.49134 61145.13988 63209.36951 67434.30457 62626.79352 54261.65539 60318.84719 56761.348 59680.48691 phenylalanine 2224840192 2757161216 2534633984 5068637184 2152788736 2726402560 2291266048 2881729536 2916390400 2221570816 3813455616 2717135360 3842070016 2712562432 4035038720 4295820288 2458567680 4007325696 3521216000 2982433536 3693891072 3428512768 3179940096 2823115776 317375041.2 359440404.7 269916577.7 233382575.5 516560489 331878151.7 381689956.2 284699033.2 205268554.4 235995524.7 261275911.3 329653276.8 282514188.5 278685317 253109050.2 257798842.7 phenylethanolamine 1464440.25 1480764.75 1417447.25 1519945.38 1452821.88 1579317.75 1486567.38 1425071.88 1293406.88 1400273.5 1332596.88 1442882.62 1515778.38 1393467.25 1220831.25 1312357.62 phosphocreatine 30845.2649 24357.21732 21742.72154 21437.59051 34198.94653 23688.86164 40758.35576 58658.20624 47321.82471 39076.97558 22949.66295 10952.58716 22252.81327 8054.21479 15148.05385 22422.4425 pipecolate 135704608 129254760 112669168 166975792 111106160 81627568 122061160 150804896 74197512 93851248 131396936 95286128 99433016 172570240 54088572 100313024 81793832 134419120 130065992 107489336 52257432 66597736 92243944 106262808 6496484.636 5824124.95 4611411.245 5888936.045 8305455.441 6584465.699 8579911.076 4590407.018 5425973.006 4374727.923 3221859.941 5555368.206 4781210.658 3646248.402 3531629.328 3460358.879 porphobilinogen 849353.75 763753.94 713404.31 1101782.5 711049.81 840089.62 523798.12 560441.25 613012.5 778724.06 623486 648183.69 884230.81 785080.88 757762.19 669172.5 643430.44 966000.62 744437.94 822890.06 631321.81 876227 598223.5 687919.56 284626.53 320722.78 373104.69 257508.98 316873.09 322856.38 194331.27 257700.31 235573.48 226206.27 211342.5 124964.13 271108.16 158747.09 262153.31 315519.84 pregnanetriol 5884354.5 5994927 7802618.5 7369249.5 6251064 6800733 4581298.5 9834722 9194584 5455580 10085011 5934125.5 4037325.25 5084673.5 4349448.5 5510953 5621149.5 6599075 8648224 15541664 6057033.5 6650933 4848498.5 4273358 353723.9634 412374.7024 316133.4564 173533.1277 325731.2197 233328.9783 399774.5868 139930.1664 213225.0243 243103.6904 600059.5485 530523.154 413710.6647 262939.5512 481768.3906 297140.3119 pregnenolone 89051.12 611492.06 119975.42 377059.81 746830.06 59882.89 1035417.38 783617.44 354107.62 4135953.5 383077.94 5406037.5 13298.57 235921.3 423764.72 32427.61 603142.75 108458.09 810016.25 299844.66 43259.09 3703694 504474.09 3812467.5 65937.59778 8237.166973 20848.04809 370381.5338 36218.27228 32645.31409 50352.29158 262.4680577 167572.1218 168416.5398 70895.13781 97609.48665 106733.0126 259048.8201 83418.13957 224715.0181 progesterone 190879.38 62824.136 40302.68 124414.25 46020.7094 10970.27 10530.67 55033.97 202223.83 36888.97 65445.2058 20911.09 56522.9513 106810.59 98836.56 91428.8847 proline 32383478.49 31230100.99 24321027.85 24317150.51 44363053.66 36396746.33 50931793.38 24079003 22140380.32 23758282.07 27576575.17 34859890.01 24555010.44 26341650.6 29799217.44 20532321.68 propionylcarnitine 148053728 194244736 90589856 166680960 114460184 118132224 226255616 390523424 237190896 162604720 357000768 179593536 97889504 92256304 82033288 72193920 44729880 156774064 217774112 240765360 79723424 68136104 117139856 117941288 20549747.37 10717644.57 10072236.49 12075657.65 16671100.16 26745178.79 14502087.77 8433022.143 9481844.178 11069927.72 6703887.407 17092163.88 22133970.81 7839952.924 15148786.79 8982971.524 protoporphyrinogen ix 2916.56493 8688.961875 10883.9859 6430.029334 7054.683889 17766.51114 3893.430727 16524.33412 243909.1597 699.9521542 997.5052074 4951.387418 7289.727614 73.69204528 39755.15582 709.0804473 pyridoxal-5'-phosphate 176242.74 165591.8688 166194.2829 159316.722 168862.5861 158750.061 169647.1986 155752.2438 172112.5416 144855.1062 32648.37 166723.4082 123507 102955.83 388925.22 153044.16 pyroglutamate 60325244 42126564 59454676 54384756 62096248 44867924 43120836 65923700 51686000 52539940 72374896 59503844 59974428 77623440 21939722 35795436 38915088 51896336 42544136 31188518 35900492 46949424 36535032 35935052 18079129.79 19691445.74 20554747.56 20269091.79 28424379.23 26451492.58 29420831.97 19967028.8 23572867.98 21328100.38 21233731.25 29618402.44 22421473.66 26260774.35 30025744.59 23602835.57 quinolinate 742110.75 307989.31 1245875.25 596265.25 238881.53 391677.06 353696.06 210553.7 323025.44 214815.77 413087.41 189904.58 1248431.38 759526.31 1297342 930365 957213.94 1044253.38 1178927.38 928535.81 1214917.5 1118536.62 1153118.5 665840.06 riboflavin 29682.46669 16929.21131 31024.71907 22053.40477 30453.86609 23894.41898 4961.312473 12929.5809 9335.647964 14341.64336 12444.71337 17247.05953 13252.91001 14027.29592 9421.515211 26384.44825 s-adenosyl methioninamine 56644.26597 15017.91422 31961.30911 40696.51145 15860.20686 39242.34365 27556.00261 28778.31574 14907.6155 28578.83415 28746.77301 30154.35365 34375.56686 32709.79959 27296.84037 33755.91149 sarcosine 13154371 16924572 9120297 15549939 8543135 24205334 19157032 15831206 10614561 13669038 19309804 14840669 13356901 12826181 14273818 13003051 7832287.5 20264358 15833287 10879434 11771303 9726668 12178878 13724418 serine 60298792 61076344 49618020 49865412 45783484 65507196 53009308 59108208 36055424 39479484 73106576 54663848 64618076 64152540 49962648 42624704 35592420 59768636 45547388 26733782 34643492 41862276 32951458 47442244 2269799.498 2730044.731 1785747.165 2780728.646 3011616.543 2408865.18 3120847.659 1775510.922 1583656.367 2029365.501 1596091.002 2167830.071 1759045.981 2542933.196 2118213.671 1837494.341 serotonin 10317.95 1167377.25 260926.94 2031680.38 306602.94 21345.88 542289.75 1821837.38 1372230.269 1079906.745 1205077.779 1084728.054 1027052.153 1041277.18 1615458 1172683.699 sorbitol 1139207.88 1098158.75 824013.88 1491136.75 845956.06 975159.56 2322392.5 1145936.25 1149561.5 1372170.75 1631403.5 1254723.88 886359.12 1011973.88 1488734.38 862393.62 790186.44 1458980.38 10131.78 21826.67 13423.59 906521.8326 848232.0027 705038.0936 12146.51811 81605.20319 2014.121359 2548.656118 1932.777346 175559.006 139991.9213 1782.492941 2487.241222 103850.2633 306805.899 477772.2039 426845.6412 265358.5442 367629.3416 310764.6598 spermidine 497158.88 206930.77 553501.7803 393708.66 584482.25 636812.12 518478.34 294648.75 553348.25 523203.47 525553.12 1010623.25 459530.69 454223.06 362792.5 437323.34 351039.16 667404.38 1479553.62 564046.5 748557.75 1038971 1150869.88 1098817.38 660060.88 1243135.322 4252697.5 836543.4885 1167225.5 962533.31 975554.3323 766894.38 191028.27 41910.47 66874.39 712259.2836 667645.6982 10391.76 777277.94 489195.78 sphingosine 277765.9331 232181.7129 247606.7707 184314.8845 229872.0457 191436.2746 184525.895 169848.8237 202219.7116 202691.2841 163837.2872 152478.6474 134262.0721 191058.0155 200754.6149 216721.3566 sphingosine-1-phosphate 62150216 28174034 61611540 57467076 24439460 31185622 18638884 35902036 45386904 31696014 36060456 44934088 27762974 25057140 25540640 24107640 20792880 34313424 59375116 42845624 50256740 52208620 22555210 58452524 taurine 23925796 35427724 28644450 31584428 27856402 25997210 23826366 16131700 28760030 25195220 22961386 32717636 21052536 24506444 25110210 18743054 16388839 35160872 36709040 17762510 27217678 23829154 21936026 27180040 6497632 9246585 8118128 9334670 9331434 9668231 10684912 8126280.5 5548730 7211506 8205078 6172109 5750291 7862369.5 7658020 5956796 taurochenodeoxycholate 939755.69 988534.19 5696694 1224768.25 9588211 547803.5 1443693.12 20088770 2608982 1107055.5 17752684 36014264 316234.72 929770.5 18997442 4074568 22930986 571506.5 866775.06 4725142.5 2255116.5 1269998.88 1332376.88 1468808 1317132.513 1672606.173 1352786.338 1325522.192 228345.42 1949785.25 1352432.75 254029.7 1661169.08 533498.62 5343011 5611972.5 4759648.5 233063.8 917926.5 2027134.762 taurocholate 36237.5 434756.66 1192699.12 568046 387079.91 20456.3 15854.67 546602.81 32217.27 96580.93 5316729.5 16002896 97182.33 159419.09 6373422.5 713763.62 4746796 11754.16 457483.22 984537.31 70168.96 100755.94 754928.69 813874.69 258900.6527 224764.9704 217811.9642 216059.0419 208883.5096 281007.7176 80830.8 244726.7126 211071.9328 232945.4522 200997.23 268206.28 699976 11707.79 88143.35 221287.3903 testosterone 845478.56 1671776.38 869841.94 1639648.62 2490650.75 1287419.25 648560.75 1348267.5 690603.19 1009231.31 1882739.75 818366.31 1146078.88 455316.47 872187.56 854289.31 1345257.75 1713408.88 770041.38 962771.56 951158.44 1356328.38 2105565.5 806086.19 testosterone acetate 2921713.5 1175351 2445707.5 2630551.25 1730758.62 1290825.12 1311784 2500022 2758745.75 1349835.88 1082369.25 795574.5 1079541.5 1750195.38 1443335.38 993077.94 tetradecanoate 393611.19 343952.06 328974.38 351010.44 300945.84 334046.19 315692.28 366748.12 258029.05 307554.5 253365.81 266885.34 323117.28 308305.78 221574.45 210130.73 tetrahydrocortisone 663459.12 360018.97 774707.62 504196.47 436055.78 244461.19 420729.94 629959.19 594596.81 556133.56 373106.25 425990.12 614133.31 488789.66 494785.97 566817.69 threonine 8557780 14115621 7710546.5 11974085 9388069 16005511 16112527 19903316 9297607 7895855.5 22238732 12360520 11383013 14084629 10609296 8896125 8107802.5 13632542 13279925 10436685 10919176 7208843 11963898 9369594 2809382.407 3108973.927 2406773.375 2461968.894 6027064.844 4358898.385 5593577.474 2795234.004 2448532.077 3134663.431 2055667.325 3105217.479 2552356.218 3171812.733 2509470.565 2415270.205 thymidine 1014805.31 1363081.5 1841157.62 1203040.38 920175 739017.25 10780.55 415879.88 879047.06 2232700.5 1152352.25 1060731.765 996719.2848 1178874.929 1156489.659 1340334.984 trans-3-indoleacrylate 95338098.88 142197866.4 113307781.1 116934138.3 176782505.3 128889057.5 169352736.3 95081197.52 108727400.1 126633385.2 88777576.29 82346080.24 117861488.6 108160605.8 78532406.2 114979056.6 trans-4-hydroxy-proline 2971097.182 2813502.342 2141888.748 1969803.728 3920071.924 3646599.432 3548019.856 2796909.453 1798854.482 3130482.752 2839383.843 3588646.491 3382927.251 3326235.755 3937855.269 3146057.823 trans-linoleate 2034899 2493229.75 2948283.5 1242962.25 2618564 858586.62 1281061.38 875318 1600051.62 695751.38 1076121.88 732552.94 1741081.62 1639305.5 2132056.75 2822867.75 2807448.75 1026410.44 1648522.5 2571027.25 3155462.5 1822960.75 2916388.25 2694328.5 1515340.577 1823140.013 1525408.781 1637873.747 1734828.735 1722360.808 1685869.11 1019577.567 1708489.743 1749562.077 1791757.038 1697064.291 1405834.662 1355690.711 1794380.132 1650354.31 trans-oleate 2111666 2567018 3449311.5 1236286.75 2719931 858064.12 1054403 719453.75 1188854.75 520778.72 911602.69 795671.19 2209495.5 1510346.5 2073623.12 3343181.5 2913596.75 957217.44 1223184.12 2964053 3432655 1678903 2150451.25 3301316.5 2493613.803 3211096.32 2979703.374 2911953.741 2673422.188 2969080.719 2670871.771 3423117.17 2468489.348 2596630.449 2572013.868 2544032.106 2398523.347 2450145.626 2325875.177 2346675.078 trigonelline 66076.54654 52967.12179 60764.66362 19269.99899 104098.4178 202146.544 140458.2838 68993.00646 23407.53534 33783.96323 69334.06032 98056.86764 147915.9237 31576.95959 5637.799318 43310.33488 trimethyl lysine 4411347 5271209.5 6715553.5 5691480.5 7933942.5 6208524.5 3834225.5 6176949 3717670.25 4401259.5 7334123.5 5843526.5 5167981 6225279.5 9003781 4604271 4688804.5 5727693.5 4029304.25 4442378.5 2530076.5 5107063 4786271.5 4379480 trimethylamine n-oxide 5341001.815 12206999.81 10126230.4 14871985.21 9700174.795 8210340.925 10959644.77 5987957.397 23800012.45 6568424.338 12335442.25 36560950.76 13817131.43 6565236.969 34053389.9 7397211.933 tyramine 1464440.25 1480764.75 1417447.25 1519945.38 1452821.88 1579317.75 1486567.38 1425071.88 1293406.88 1400273.5 1332596.88 1442882.62 1515778.38 1393467.25 1220831.25 1312357.62 tyrosine 973234624 844007040 660194048 1199786624 546470912 864268288 833735424 830963200 745830720 713915264 1094174720 1005488000 735211392 1040114240 533123104 330068640 528478400 379840608 74569472 808236416 443921184 523870688 713325696 72045664 69083980.36 70242444.5 79891024.68 52443108.63 120023931.4 102552370 132570673.9 66622047.93 55163078.87 60153854.82 56174448.13 62088164.11 58158064.47 55878779.98 58817111.59 59411641.77 udp 137405.2 71717.37 55970.02 119920.23 384508.94 35647.05 73293.91 38008.57 332324.56 107275.09 57832.89 189472.28 232506.3934 226643.6071 320261.45 313711.805 26896.64 50645.84 1540470.12 625458.12 659454.56 526148.31 590895.88 928758.62 uracil 7988288 6780083 9805869 12369750 7577134 10464619 5969854 5126049.5 7871503 8388709 4565269.5 10301512 6316862 8232313 8278704.5 8395807 7352552.5 13425587 5453407 5868551 4865644.5 4152363.75 6797052 8454058 3164787.25 3063063.75 3271628.25 3126681.25 2107696.25 2305811.5 2181162 3059415 2685235.75 2796567.75 2021311.88 1933450 2512954.25 3525059.25 2217345.25 2659365.75 urea 266310573.7 363820341.1 183055748 263678634.7 214635326.3 350550957 312144629.4 266694936.6 279160412.9 182811937.7 189671317.1 193111938.6 318498800.9 276568934.1 250359741 144113353.9 urocanate 6310781.5 7381020 4196786 6372190 10919726 5548165 3966391.25 5808707 5682249 5446049.5 8169185.5 5246917.5 3281443.5 3338215.25 5672703 2503649 3059646 3834590.5 4340400 4018820.5 2916648.75 7105569 3952627.5 3237693.25 ursodeoxycholate 5807817.5 1621224.25 1159255.38 3624815.75 21484436 271010.28 2296640 6473679.5 4769457 558662.94 5685983.5 1655754.12 2383082.75 1561230 3161548 2092841.5 4119659 11853876 3244011.5 8341319 3273997.5 1297375.88 2966110.5 311155.5 155133.3252 295211.2791 177972.093 143119.3392 134983.7596 178330.3972 151611.4945 60368.14866 216199.261 171925.8106 182678.6017 139484.9754 194093.6632 140265.3621 196399.045 156363.2173 valine 5614162 12467264 8224723.5 14048706 7855436 9107383 6239135 8554093 7859425.5 5707847 8585878 6344197 7161661.5 7117726.5 7974747 6471560.5 5267497 6254638 7586259 5896417 7827769.5 5706748.5 5814368 7274406.5 56239307.38 71284713.52 58887520.89 47694257.75 91950988.02 84571599.57 86811437.4 73310899.84 57277918.63 53795536.63 50315708.4 57965187.94 64157392.43 54147998.08 49965775.39 42815168.86 vanillate 3527306.25 2498380.5 3976610.5 4567584.5 3102476.5 3086469.25 3436976.5 2538876.25 3461154 2360358.5 3837703.5 3587090.75 2625355.5 4687705.5 2391996.75 3079480.75 2045813.75 2691662.25 3593354.25 4176499.25 2939080.5 1820188.75 2478068.25 3277944 100394.4627 129815.4487 150819.6782 128852.2523 123096.4534 119358.3152 93263.13236 100615.1622 88214.64508 78241.62446 77219.38773 96567.7822 74950.2018 126312.9831 95717.86705 114861.4637 xanthurenate 29903.3034 74179.92996 56663.28078 32006.56275 128504.7483 233257.0388 208848.4074 0.143229213 19598.34898 46830.04953 35707.95781 30898.71115 203153.8252 71174.343 34541.89906 50792.00282 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name 1,5-anhydroglucitol 11beta,17alpha,21-trihydroxypregnenolone 11beta-hydroxytestosterone 11-dehydrocorticosterone 11-deoxycortisol 11-ketoetiocholanolone 16alpha-hydroxydehydroepiandrosterone 17alpha-hydroxyprogesterone 17-hydroxyprogesterone 19-hydroxytestosterone 19-oxoandrostenedione 1-methyl-4-pyridone-3-carboximide 1-methyl-5-carboxylamide-2-pyridone 1-methyladenosine 1-methylguanine 1-methylhistidine 1-methylnicotinamide 2,3,4,5-tetrahydropyridine-2-carboxylate 21-deoxycortisol 25-hydroxyvitamin d3 2-aminoacrylate 2-aminobutyrate 2-aminoisobutyrate 2'-deoxyguanosine 5'-monophosphate (dgmp) 2-deoxyribose 5-phosphate 2-deoxy-ribose-1-phosphate 2-hydroxycinnamate 2-hydroxyphenylalanine 2-methoxyestrone 2'-o-methylguanosine 2-oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline 3,4-dihydroxymandelaldehyde 3,4-dihydroxyphenylacetate 3',5'-cyclic amp 3'-adenosine monophosphate (3'-amp) 3alpha,11beta,21-trihydroxy-20-oxo-5beta-pregnan-18-al 3-carboxy-1-hydroxypropyl-thpp 3-dehydrosphinganine 3-hydroxymandelate 3-hydroxy-proline 3-o-methyl-dopa (3-omd) 3-pyridylacetate 3-sulfolactate 4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoate 4,6-dihydroxyquinoline 4,8-dihydroxyquinoline 4-acetamidobutanoate 4-aminobenzoate 4-coumarate 4-guanidinobutanoate 4-guanidinobutyrate 4-hydroxymandelate 4-imidazolone-5-propanoate 4-methylthio-2-oxobutanoate 5,6-dihydroxyindole 5alpha-dihydrotestosterone 5alpha-pregnan-3,20-dione 5-aminolevulinate 5-hydroxytryptophan 5-methoxysalicylate 5'-s-methyl-5'-thioadenosine 6-hydroxytestosterone 6-methylnicotinamide 7alpha-hydroxydehydroepiandrosterone 7alpha-hydroxytestosterone 7-methylguanine 7-methylguanosine acetylcholine adenosine 5'-monophosphate adrenaline adrenosterone air alanine allantoate alpha-aminoadipic semialdehyde alpha-linolenate alpha-mannose 1-phosphate alpha-muricholate aminoacetone androsterone anthranilate arginine asparagine beta-alanine beta-alanyl-lysine beta-estradiol betaine betaine aldehyde beta-muricholate bilirubin biliverdin calcitriol carnitine chenodeoxycholate choline cinnamate cis-4-hydroxy-proline citrulline corticosterone cortisol cortisone cotinine creatine creatinine cystathionine cysteate cysteinylglycine cystine decanoate deoxyinosine desoxycortone dihydrocortisol dihydrothymine dimethylarginine dimethylglycine dimethylguanosine dodecanoate dopamine dulcitol eicosadienoate erucate erythro-4-hydroxy-glutamate erythro-sphingosine 1-phosphate ethanolamine phosphate etiocholanolone fgar formylkynurenine galactose 1-phosphate gamma linolenate glucosamine glucosamine-6-phosphate glutamate glutamine glycine guanidinoacetate guanine heptanoate histidine homoarginine homogentisate homoserine hydroxycholesterol hyodeoxycholate hypotaurine hypoxanthine imidazolelactate indole-3-acetaldehyde indole-3-acetate indole-3-acrylate indole-3-butyrate indole-3-lactate indole-3-propionate isocitrate isoleucine kynurenine leucine linoleate lysine mannose 6-phosphate methionine methyl indole-3-acetate methyladenosine methylcytidine methylimidazole acetaldehyde methylimidazoleacetate methylinosine mevalonate n2-methylguanosine n3,n4-dimethyl-arginine n6,n6,n6-trimethyl-lysine n-acetyl-asparagine n-acetylornithine n-acetyltryptophan nadp+ nicotinamide n-isobutyrylglycine n-methylnicotinamide norfenefrine norleucine normetanephrine n-phenylacetylglutamine palmitoyl glucuronide palmitoylcarnitine palmitoyl-serine palmitoyl-threonine pantothenate pentadecanoate phenylalanine phenylethanolamine phosphocreatine pipecolate porphobilinogen pregnanetriol pregnenolone progesterone proline propionylcarnitine protoporphyrinogen ix pyridoxal-5'-phosphate pyroglutamate quinolinate riboflavin s-adenosyl methioninamine sarcosine serine serotonin sorbitol spermidine sphingosine sphingosine-1-phosphate taurine taurochenodeoxycholate taurocholate testosterone testosterone acetate tetradecanoate tetrahydrocortisone threonine thymidine trans-3-indoleacrylate trans-4-hydroxy-proline trans-linoleate trans-oleate trigonelline trimethyl lysine trimethylamine n-oxide tyramine tyrosine udp uracil urea urocanate ursodeoxycholate valine vanillate xanthurenate METABOLITES_END #END