#METABOLOMICS WORKBENCH stephensondj_20230911_122824 DATATRACK_ID:4302 STUDY_ID:ST002858 ANALYSIS_ID:AN004685 PROJECT_ID:PR001789 VERSION 1 CREATED_ON September 13, 2023, 3:17 pm #PROJECT PR:PROJECT_TITLE Intracerebroventricular Transplantation of Foetal Allogeneic Neural Stem Cells PR:PROJECT_TITLE in Patients with Secondary Progressive Multiple Sclerosis (hNSC-SPMS): a phase I PR:PROJECT_TITLE dose-escalation clinical trial PR:PROJECT_SUMMARY SUMMARY This is an open-label, first-in-human, dose-escalation phase I study PR:PROJECT_SUMMARY (NCT03282760, EudraCT2015‐004855‐37) to determine the feasibility, safety, PR:PROJECT_SUMMARY and tolerability of the transplantation of allogeneic human neural PR:PROJECT_SUMMARY stem/progenitor cells (hNSCs) for the treatment of progressive multiple PR:PROJECT_SUMMARY sclerosis. We report the analysis of 1 year of data from the first cohort of 15 PR:PROJECT_SUMMARY patients from two trial sites that received increasing numbers of allogeneic PR:PROJECT_SUMMARY hNSCs delivered via intracerebroventricular injection in combination with an PR:PROJECT_SUMMARY immunosuppressive regimen. No treatment-related deaths nor serious adverse PR:PROJECT_SUMMARY events (AEs) were observed over the 12-month follow-up. Participants displayed PR:PROJECT_SUMMARY stability of clinical and laboratory parameters, as well as lesion load and PR:PROJECT_SUMMARY activity at the brain MRIs, compared to study entry. Longitudinal metabolomics PR:PROJECT_SUMMARY and lipidomics analyses of cerebrospinal fluid and serum from these patients PR:PROJECT_SUMMARY identified time and dose-dependent responses, with increased levels of free PR:PROJECT_SUMMARY fatty acids and acylcarnitines in the CSF, especially at the highest dose of PR:PROJECT_SUMMARY injected hNSCs at the one-year follow-up time point. Finally, a significant PR:PROJECT_SUMMARY inverse correlation was found between the highest dose of injected hNSCs and the PR:PROJECT_SUMMARY smaller parenchymal brain volume change (PBVC; Spearman’s rho= -0.7, p= 0.03), PR:PROJECT_SUMMARY clinical covariates that correlated with CSF levels of free fatty acids, PR:PROJECT_SUMMARY acyl-carnitines, oxylipins, conjugated bile acids and purine breakdown and PR:PROJECT_SUMMARY deamination products, such as hypoxanthine. The absence of AEs and the stability PR:PROJECT_SUMMARY of functional and structural outcomes is reassuring in terms of risks and PR:PROJECT_SUMMARY represent a main milestone to rigorously address the challenges for the safe PR:PROJECT_SUMMARY translation of key principles of stem cell biology into effective regenerative PR:PROJECT_SUMMARY medicines. PR:INSTITUTE University of Colorado Anschutz Medical Campus PR:DEPARTMENT Department of Biochemistry and Molecular Genetics PR:LAST_NAME Stephenson PR:FIRST_NAME Daniel PR:ADDRESS Research 1 South L18-1303 12801 E. 17th Ave., Aurora, Colorado, 80045, USA PR:EMAIL daniel.stephenson@cuanschutz.edu PR:PHONE 303-724-3339 #STUDY ST:STUDY_TITLE Intracerebroventricular Transplantation of Foetal Allogeneic Neural Stem Cells ST:STUDY_TITLE in Patients with Secondary Progressive Multiple Sclerosis (hNSC-SPMS): a phase I ST:STUDY_TITLE dose-escalation clinical trial - Metabolomics Analysis of Human Serum ST:STUDY_SUMMARY This is an open-label, first-in-human, dose-escalation phase I study ST:STUDY_SUMMARY (NCT03282760, EudraCT2015‐004855‐37) to determine the feasibility, safety, ST:STUDY_SUMMARY and tolerability of the transplantation of allogeneic human neural ST:STUDY_SUMMARY stem/progenitor cells (hNSCs) for the treatment of progressive multiple ST:STUDY_SUMMARY sclerosis. We report the analysis of 1 year of data from the first cohort of 15 ST:STUDY_SUMMARY patients from two trial sites that received increasing numbers of allogeneic ST:STUDY_SUMMARY hNSCs delivered via intracerebroventricular injection in combination with an ST:STUDY_SUMMARY immunosuppressive regimen. No treatment-related deaths nor serious adverse ST:STUDY_SUMMARY events (AEs) were observed over the 12-month follow-up. Participants displayed ST:STUDY_SUMMARY stability of clinical and laboratory parameters, as well as lesion load and ST:STUDY_SUMMARY activity at the brain MRIs, compared to study entry. Longitudinal metabolomics ST:STUDY_SUMMARY and lipidomics analyses of cerebrospinal fluid and serum from these patients ST:STUDY_SUMMARY identified time and dose-dependent responses, with increased levels of free ST:STUDY_SUMMARY fatty acids and acylcarnitines in the CSF, especially at the highest dose of ST:STUDY_SUMMARY injected hNSCs at the one-year follow-up time point. Finally, a significant ST:STUDY_SUMMARY inverse correlation was found between the highest dose of injected hNSCs and the ST:STUDY_SUMMARY smaller parenchymal brain volume change (PBVC; Spearman’s rho= -0.7, p= 0.03), ST:STUDY_SUMMARY clinical covariates that correlated with CSF levels of free fatty acids, ST:STUDY_SUMMARY acyl-carnitines, oxylipins, conjugated bile acids and purine breakdown and ST:STUDY_SUMMARY deamination products, such as hypoxanthine. The absence of AEs and the stability ST:STUDY_SUMMARY of functional and structural outcomes is reassuring in terms of risks and ST:STUDY_SUMMARY represent a main milestone to rigorously address the challenges for the safe ST:STUDY_SUMMARY translation of key principles of stem cell biology into effective regenerative ST:STUDY_SUMMARY medicines. ST:INSTITUTE University of Colorado Anschutz Medical Campus ST:LAST_NAME Stephenson ST:FIRST_NAME Daniel ST:ADDRESS Research 1 South L18-1303 12801 E. 17th Ave., Aurora, Colorado, 80045, USA ST:EMAIL daniel.stephenson@cuanschutz.edu ST:PHONE 303-724-3339 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Male and female #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 1151 DS1-123-002 TIMEPOINT:START RAW_FILE_NAME=DS1-123-002+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-002-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-002+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-002-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-002-neg_oxylipinsSerum.mzXML SUBJECT_SAMPLE_FACTORS CP101 DS1-123-004 TIMEPOINT:START RAW_FILE_NAME=DS1-123-004+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-004-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-004+pos_lipidomicsSerum.mzXML; 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RAW_FILE_NAME=DS1-123-107+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-107-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-107-neg_oxylipinsSerum.mzXML SUBJECT_SAMPLE_FACTORS 1181 DS1-123-108 TIMEPOINT:FU6 RAW_FILE_NAME=DS1-123-108+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-108-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-108+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-108-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-108-neg_oxylipinsSerum.mzXML SUBJECT_SAMPLE_FACTORS 1194 DS1-123-110 TIMEPOINT:REND RAW_FILE_NAME=DS1-123-110+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-110-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-110+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-110-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-110-neg_oxylipinsSerum.mzXML SUBJECT_SAMPLE_FACTORS 1194 DS1-123-112 TIMEPOINT:FU9 RAW_FILE_NAME=DS1-123-112+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-112-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-112+pos_lipidomicsSerum.mzXML; 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RAW_FILE_NAME=DS1-123-149-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-149+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-149-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-149-neg_oxylipinsSerum.mzXML SUBJECT_SAMPLE_FACTORS 1151 DS1-123-150 TIMEPOINT:FU3 RAW_FILE_NAME=DS1-123-150+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-150-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-150+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-150-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-150-neg_oxylipinsSerum.mzXML SUBJECT_SAMPLE_FACTORS 1178 DS1-123-151 TIMEPOINT:FU9 RAW_FILE_NAME=DS1-123-151+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-151-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-151+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-151-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-151-neg_oxylipinsSerum.mzXML SUBJECT_SAMPLE_FACTORS 1219 DS1-123-152 TIMEPOINT:FU3 RAW_FILE_NAME=DS1-123-152+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-152-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-152+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-152-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-152-neg_oxylipinsSerum.mzXML SUBJECT_SAMPLE_FACTORS 1228 DS1-123-153 TIMEPOINT:FU3 RAW_FILE_NAME=DS1-123-153+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-153-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-153+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-153-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-153-neg_oxylipinsSerum.mzXML SUBJECT_SAMPLE_FACTORS 1219 DS1-123-154 TIMEPOINT:FU9 RAW_FILE_NAME=DS1-123-154+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-154-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-154+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-154-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-154-neg_oxylipinsSerum.mzXML SUBJECT_SAMPLE_FACTORS 1249 DS1-123-155 TIMEPOINT:FU3 RAW_FILE_NAME=DS1-123-155+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-155-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-155+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-155-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-155-neg_oxylipinsSerum.mzXML SUBJECT_SAMPLE_FACTORS 1228 DS1-123-156 TIMEPOINT:FU9 RAW_FILE_NAME=DS1-123-156+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-156-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-156+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-156-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-156-neg_oxylipinsSerum.mzXML #COLLECTION CO:COLLECTION_SUMMARY lumbar puncture for serum and CSF collection (stored at -80°C) CO:SAMPLE_TYPE Serum #TREATMENT TR:TREATMENT_SUMMARY A total of 180 candidates volunteered between September 26, 2017, and January TR:TREATMENT_SUMMARY 13, 2020. The study was conducted in three centers. Two Italian centers, the TR:TREATMENT_SUMMARY ‘IRCCS Casa Sollievo della Sofferenza’ Research Hospital (Site 1) and the TR:TREATMENT_SUMMARY ‘Santa Maria di Terni’ Hospital (Site 2) recruited patients and performed TR:TREATMENT_SUMMARY the MRI examinations. The Multiple Sclerosis Centre of the Neurocentre of TR:TREATMENT_SUMMARY Southern Switzerland (Site 3) performed the magnetic resonance imaging (MRI) TR:TREATMENT_SUMMARY analysis. The ICVI of the ACT was performed at Site 2. Screening was done one TR:TREATMENT_SUMMARY month prior to enrolment in the study. The run-in period started after the TR:TREATMENT_SUMMARY screening examination (Run-in-START) and lasted three months (Run-in-END). After TR:TREATMENT_SUMMARY screening in the two recruiting centers (as above), n= 15 subjects with active TR:TREATMENT_SUMMARY and non-active SPMS suffering from progressive disability were found to be TR:TREATMENT_SUMMARY eligible, consented, and were assigned a unique identification number. TR:TREATMENT_SUMMARY Participants, nine females and six males, had a mean age of 50 years (range: TR:TREATMENT_SUMMARY 38–57), and were recruited in similar proportions by the two study sites. The TR:TREATMENT_SUMMARY mean EDSS was 7.6 (range 7–8), mean disease duration was 23 years (range TR:TREATMENT_SUMMARY 14–30), and mean time from diagnosis to secondary progression was 10 years TR:TREATMENT_SUMMARY (range: 1–20). The hNSC-SPMS study was advertised using the website of the TR:TREATMENT_SUMMARY hospitals and social media (eg Facebook and Twitter). The first patient TR:TREATMENT_SUMMARY selection was performed based on the documentation provided. Selected patients TR:TREATMENT_SUMMARY were then summoned in Site 1 and Site 2 (as above) for a first pre-screening TR:TREATMENT_SUMMARY meeting with the clinicians. Patients who agreed to participate were then TR:TREATMENT_SUMMARY subjected to the screening visit for the clinical trial. Following the surgical TR:TREATMENT_SUMMARY procedure, follow-up visits were performed monthly up to 12 months. Before TR:TREATMENT_SUMMARY transplantation, all patients underwent the following examinations (at both TR:TREATMENT_SUMMARY Run-in-START and Run-in-END): physical and neurological exams; vital signs; TR:TREATMENT_SUMMARY pregnancy tests (in fertile women); haematological and urine tests; lumbar TR:TREATMENT_SUMMARY puncture for serum and CSF collection (stored at -80°C); #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Extraction of metabolites and lipids from serum and cerebrospinal fluid (CSF) SP:SAMPLEPREP_SUMMARY was as follows: 40 µL CSF or serum was aliquoted into 2mL deep well plates SP:SAMPLEPREP_SUMMARY followed by an addition of 360 µL cold MeOH:MeCN:H2O (5:3:2, v:v:v). Plates SP:SAMPLEPREP_SUMMARY were then placed on a shaker at 4°C and plate shaker was set to 400 RPM for 30 SP:SAMPLEPREP_SUMMARY minutes. Insoluble material was pelleted by centrifugation (4000 RPM, 10 min) SP:SAMPLEPREP_SUMMARY and supernatants were isolated for analysis by UHPLC-MS. All 96-well plate SP:SAMPLEPREP_SUMMARY pipetting was done using Integra MINI 96 (Integra Biosciences). #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Metabolomics Negative CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Phenomenex Kinetex C18 (150 x 2.1mm,1.7um) CH:SOLVENT_A 5% ACN 95% Water 1mM Ammonium Acetate CH:SOLVENT_B 95% ACN 5% Water 1mM Ammonium Acetate CH:FLOW_GRADIENT 0 min - 0.45 ml/min - 0% B, 0.5 min - 0.45ml/min - 0% B, 1.1 min - 0.45ml/min - CH:FLOW_GRADIENT 100% B, 2.75 min - 0.45ml/min - 100% B, 3 min - 0.45ml/min - 0% B, 5min - CH:FLOW_GRADIENT 0.45ml/min - 0%B CH:FLOW_RATE 0.45 ml/min CH:COLUMN_TEMPERATURE 45 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Orbitrap Exploris 120 MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS Software for Feature Assignments - El-Maven #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area MS_METABOLITE_DATA_START Samples DS1-123-002 DS1-123-004 DS1-123-006 DS1-123-008 DS1-123-009 DS1-123-010 DS1-123-012 DS1-123-013 DS1-123-016 DS1-123-017 DS1-123-019 DS1-123-020 DS1-123-022 DS1-123-023 DS1-123-024 DS1-123-026 DS1-123-029 DS1-123-030 DS1-123-033 DS1-123-034 DS1-123-036 DS1-123-038 DS1-123-040 DS1-123-041 DS1-123-044 DS1-123-045 DS1-123-047 DS1-123-048 DS1-123-049 DS1-123-052 DS1-123-053 DS1-123-054 DS1-123-055 DS1-123-056 DS1-123-059 DS1-123-060 DS1-123-061 DS1-123-062 DS1-123-064 DS1-123-065 DS1-123-066 DS1-123-067 DS1-123-068 DS1-123-069 DS1-123-074 DS1-123-075 DS1-123-077 DS1-123-078 DS1-123-079 DS1-123-082 DS1-123-084 DS1-123-086 DS1-123-088 DS1-123-089 DS1-123-090 DS1-123-091 DS1-123-092 DS1-123-095 DS1-123-096 DS1-123-097 DS1-123-098 DS1-123-101 DS1-123-104 DS1-123-107 DS1-123-108 DS1-123-110 DS1-123-112 DS1-123-113 DS1-123-115 DS1-123-118 DS1-123-119 DS1-123-120 DS1-123-121 DS1-123-122 DS1-123-126 DS1-123-128 DS1-123-129 DS1-123-132 DS1-123-135 DS1-123-137 DS1-123-138 DS1-123-140 DS1-123-141 DS1-123-143 DS1-123-144 DS1-123-147 DS1-123-149 DS1-123-150 DS1-123-151 DS1-123-152 DS1-123-153 DS1-123-154 DS1-123-155 DS1-123-156 Factors TIMEPOINT:START TIMEPOINT:START TIMEPOINT:FU1 TIMEPOINT:REND TIMEPOINT:FU1 TIMEPOINT:FU6 TIMEPOINT:FU3 TIMEPOINT:START TIMEPOINT:START TIMEPOINT:FU6 TIMEPOINT:REND TIMEPOINT:FU9 TIMEPOINT:REND TIMEPOINT:FU1 TIMEPOINT:START TIMEPOINT:FU12 TIMEPOINT:REND TIMEPOINT:FU12 TIMEPOINT:FU6 TIMEPOINT:FU1 TIMEPOINT:FU6 TIMEPOINT:START TIMEPOINT:START TIMEPOINT:REND TIMEPOINT:FU6 TIMEPOINT:FU12 TIMEPOINT:FU1 TIMEPOINT:FU12 TIMEPOINT:REND TIMEPOINT:START TIMEPOINT:FU3 TIMEPOINT:FU1 TIMEPOINT:FU9 TIMEPOINT:FU1 TIMEPOINT:FU12 TIMEPOINT:FU9 TIMEPOINT:FU3 TIMEPOINT:FU9 TIMEPOINT:FU12 TIMEPOINT:FU6 TIMEPOINT:FU9 TIMEPOINT:START TIMEPOINT:FU6 TIMEPOINT:FU1 TIMEPOINT:REND TIMEPOINT:FU1 TIMEPOINT:REND TIMEPOINT:FU3 TIMEPOINT:REND TIMEPOINT:START TIMEPOINT:FU6 TIMEPOINT:FU12 TIMEPOINT:FU3 TIMEPOINT:START TIMEPOINT:FU12 TIMEPOINT:FU1 TIMEPOINT:FU3 TIMEPOINT:FU9 TIMEPOINT:FU3 TIMEPOINT:REND TIMEPOINT:FU1 TIMEPOINT:REND TIMEPOINT:FU1 TIMEPOINT:START TIMEPOINT:FU6 TIMEPOINT:REND TIMEPOINT:FU9 TIMEPOINT:FU12 TIMEPOINT:START TIMEPOINT:START TIMEPOINT:FU3 TIMEPOINT:FU9 TIMEPOINT:FU6 TIMEPOINT:REND TIMEPOINT:FU9 TIMEPOINT:FU6 TIMEPOINT:FU3 TIMEPOINT:REND TIMEPOINT:FU1 TIMEPOINT:FU12 TIMEPOINT:FU3 TIMEPOINT:FU1 TIMEPOINT:START TIMEPOINT:FU3 TIMEPOINT:REND TIMEPOINT:FU1 TIMEPOINT:FU12 TIMEPOINT:FU3 TIMEPOINT:FU9 TIMEPOINT:FU3 TIMEPOINT:FU3 TIMEPOINT:FU9 TIMEPOINT:FU3 TIMEPOINT:FU9 L-aspartate 3104779.25 1614111.62 2019361.38 2554667.75 1334456.62 2110215.25 1494458.62 1546051.62 2092116.62 1552801.38 1917534.38 1308135.38 1640933.62 1264182.88 1884845.12 1704949.38 1780475.62 1284378.38 1320888.62 1822494 1670615.38 1382411.62 2647713.5 1324036.88 1338915.38 165539.39 1091047.88 1065566.88 1834055.12 2235281 1329284.88 1873220.12 1324840 2513143.75 1320541.5 1597223.38 2490919.75 1780651.88 1629708.38 1677652.5 2352540.25 2907014.25 2752882 2958243.75 2045886.62 1712270.5 1593245.62 2624292.75 2045592.62 3110988 2460837 7156081.5 4985274 2344056.75 2053328.88 2417308.75 1937990.5 4335300 3205322.75 3092433.25 2095517.5 2128885.25 4181532.75 1873907.38 2683533 2417514.75 4487058.5 2293962.75 2419923.25 2977548.25 1941794.88 1753652.12 3082870.25 3551753.25 3078767.75 2753954.25 1286711.12 3430059.75 2913492 5704623.5 1316377.12 1982708.62 2320697.75 1272448.12 1576818.38 2574078.75 2003713.88 1271578.12 1514371.62 1303816 1227713.62 1785523.5 1288980.12 1875853 L-cysteine 224579.89 336847.12 311286.88 290033.34 382010 204142.19 323278.09 213057.67 205217.94 199434.77 208542.77 197473.45 203913.58 306305.97 234988.17 226091.42 201900.31 292601.69 248183.39 337724.16 345175.12 290118.91 424842.62 349082.84 306982.62 0 376816.91 268697.75 393709.62 242197.7 318959.72 367336.16 306852.53 259408.94 258464.88 305154 272256.53 375940.28 296597.66 270602.78 186173.55 312037.5 324176.22 276228.19 321516.97 318352.47 322265.97 359182.91 288680.25 433477.72 303569.59 301449.5 321944.81 254268.19 316856.72 400975.66 499586.88 353493.53 556193.88 440820.88 380156.25 360026.34 376734.22 317537.88 491932.91 325590.41 381764.22 421167.66 319953.59 310043.91 418037.91 381685.91 296621.38 221320.55 283735.59 410275.16 227633.17 258784.19 248657 368203.28 250855.58 339243.34 258548.38 259936.81 270851.88 302992.44 284683.16 388612.09 332268.31 459290.84 412976.22 377013.28 370640 373392.5 glycine 769255.56 429650.41 584265.81 507682.59 558013.06 738600.06 465646.09 537606.56 610576.5 648659.81 685932.38 546889.25 669781.19 732495 720567.31 622811.56 674166.62 628628.81 616469.25 668865.62 1013455.25 771351.19 1280926.75 721879 715115.69 229247.08 722882.44 860383.81 1219965.38 732234.75 855009.19 999110.5 883564.19 584611.44 673695.75 527203.56 651154.19 1347552.5 980947 705594.5 750330.5 734588.06 665918.56 390313.38 803262.44 737842.44 796784.06 665016.69 724234.31 951260.81 492095 773392.25 889086.81 716666.31 738146.06 793605.94 719242.5 734600.69 716008.56 715510 679814.06 611459.31 616823.94 988795.94 882688.56 742919.94 947505.69 891625.31 734114.69 639477.5 862513.31 613386.31 824014.44 660725.88 969097.75 692852.19 609185.62 765028.44 697731.69 500201.91 830692 648981.31 658317 628451.81 677469.44 675849.94 675168.56 670996.69 507668 651908.31 779393.31 747857.19 652662.19 840455.94 L-histidine 3737208.75 5480944.5 5912528.5 5459490.5 4028066 4171444 5168806 4491880 3975978.75 3753844.75 5133845.5 3471119.25 3401739 4732065.5 5022341.5 4078718 5107045.5 5277652.5 6074971.5 4624194 3818021 4293835.5 4871351 5155934.5 4354059.5 740001.75 4931901.5 4087861 4626053.5 4370909.5 4597850.5 5096278.5 5061730.5 3760050 3822624 3649086.75 4805780 4976930.5 3786958.75 4762316 4558168 5029425 4127563.25 2811100 4198547.5 3805440.25 4762942.5 5632298.5 4511327.5 4307097.5 4079524 3481290 4465448.5 5038466.5 4976938 6161956 6215001.5 6232210.5 4898548 4424497.5 4678725.5 5272984 4664333 4430357.5 5229068 3693869 5154858 6257407.5 4478210 3816016.75 5688173.5 4656632.5 4392090.5 4768727.5 5117140 4360764.5 5032743.5 5266654.5 4895293.5 4635812.5 4994824.5 5756576.5 5312496.5 5231046.5 5524787.5 5319570 4620154.5 4162620 3680806 5855048.5 5047706.5 4427758 5018076 4526807.5 L-serine 721241 802104.81 771207.5 869322 877683.5 815492.31 802448.5 750487.25 678397.56 1078671 763394.81 585068.81 591526.31 641222.56 777076.69 827054.06 792061.19 857407.81 684410.62 642125.88 758962.44 804684.75 641521.5 882776.94 646054.75 33169.38 799337.19 746921.06 923773.75 965167.31 734422.06 759659.06 812171.75 890862.81 921994.44 981366.5 888451 830292.31 756517.56 859039.5 679671.06 793059 707696.31 474942.75 915744.69 545582.81 917539.19 693285.81 880562 801522.31 476370.72 873175.56 1025213 857240.75 625221.06 702614.81 866570.5 947823.81 779087.75 727729.44 705798.44 716711 719472 902985.31 815945 635696.5 969291.81 888813.06 761034.81 623813.25 672357.44 750037.31 1198122.38 840732.06 1085787.62 795873.25 783226.56 922134 691474.19 689560.94 708184.5 757044.19 508552.84 641983.62 545485 636586.19 688127.44 708272.31 785376.56 733173.44 964958.75 589903.19 607853.31 816370.69 L-threonine 1698805 2286759 2228133.25 2037037.12 1933203.38 2428353.75 2063409 1628473.38 1312408.62 2026958.12 2075866.88 1478391 1891671.12 1806592.5 2287476.75 2501561.75 2273149.75 2129538.5 2277124.75 2400325.5 1816983.62 1851750 3040449.25 2326055.25 2486733 398049 2760088.75 1952658.38 3101635.75 2701506.75 1970547.62 2855479.75 2677956 1925873.38 2623424.75 2468836.75 2129618.75 3133451.25 3268844.75 2456477.25 2443233.75 2427920 1750670 1046431.19 2098753.25 1671157.88 2393423.75 1742874.38 2300126.25 2091558 1439808.5 2654526 2842536 2335459.75 2374970.25 1743652.38 2999753 3114590 2391190.75 1780754.38 1984289.88 1456639.38 1514468.38 3291577 2709530 2868784 2918864.75 3049489.25 1842119.12 1546274.38 2371672.75 1818125 2698520.75 2153334.75 2922126.75 1819866.38 2141978.25 2475248.75 3318828.75 1139832.5 3165523.75 2013667.62 2093718.88 1969150.38 2326491 3010149.25 2043836.12 2515197 2049791.12 2050582.62 2044846.62 1884456.5 2811342 1733388.62 L-cystine 3220433 4639977 5207504.5 4067198.75 5446156 3224127.75 4782592.5 3923268 2711441.75 3524020 2022781.62 2829137.75 3242088 4872510 3277646.25 3455678.25 3344387.25 4694350 4067362.75 5440253.5 5236823 4509785 6545906 5184146 4621933.5 182691.58 5606178.5 4355139.5 5989596 3578833.75 4794082 5416819 4587631.5 4025608.75 3652270.25 4413759 4131371.25 5388570 4304578 3595332 3250550.75 5111196.5 4770610 4205692.5 4931971.5 4774172 4680135.5 5257792.5 4121932.75 6817469.5 4903139.5 4546146 4737661.5 3875129 4327982.5 5816212 7411822.5 5508276.5 7621679.5 6529051.5 5771097.5 5624991.5 5441896.5 4228435.5 8240519.5 4805727.5 5765032.5 5949017.5 5711092.5 4973117.5 6053014.5 5592478 4716428.5 3074787.75 4890395.5 6053594.5 3573370.25 3996870.25 4250300 5370368 4170102 4507876.5 4313182 4022787.25 4314170 4383410.5 4070104.75 5258982 5513991.5 6717555.5 6098170 5862596 5381296.5 6002846.5 ATP 18025.15 0 14682.95 0 28010.04 28791.88 34035.58 0 15602.36 32053.07 15390.18 17168.59 27531.17 0 37412.82 29019.57 17492.49 20728.61 27559.35 27380.63 14865.88 17220.34 22576.58 40189.36 16195.9 93162.94 21233.95 14555.09 27780.84 12727.9 28540.9 0 0 17798.5 17056.06 22420.58 28175.76 0 0 19238.07 27227.5 19354.53 17148.31 16259.04 18261.38 20816.2 0 25559.57 0 21055.87 23055.9 14532.14 10385.49 14838.1 15287.91 0 14720.38 17728.75 24513.34 0 0 25071.78 33948.07 12012.05 0 0 0 0 23681.86 0 31622.01 18921.9 16116.73 14261.23 20082.31 27806.16 23087.07 19022.81 7161.37 0 2629.84 20913.24 13663.91 22049.52 15521.46 17117.04 0 15443.23 24281.13 0 14861.82 18892.02 33882.86 0 dAMP 0 20375.8 0 23908.25 45385.16 57039.05 24522.84 0 27583.91 22553.03 24332.84 29376.43 14784.96 53699.54 28481.9 0 102511.16 47891.18 32454.7 46263.01 44886.41 61131.61 53714.72 46705.04 45535.5 0 41753.98 61123.67 92184.75 0 49126.46 0 22958.72 13529.73 0 61946.32 29947.28 56943.88 25779.04 16966.46 0 47544.94 28247.89 0 64520.8 102251.35 0 26515.12 38436.89 30995.72 21947.83 64360.7 15041.38 0 70812.07 49083.86 24734.55 65971.95 77035.68 34952.21 0 72497.52 27450.97 33882.69 39151.35 0 126221.04 26627.46 0 22444.87 52905.18 0 48540.35 0 57098.79 25529.99 44471.01 21403.44 43467.87 18407.21 18743.29 35418.48 26238.16 27944.56 46320.63 0 0 0 117108.65 0 67722.91 49847.83 0 97117.98 Adenine 43804.03 161602.38 115073.77 116734.31 410768.75 27948.02 260630.05 486206.72 129853.09 367401.12 438123.91 308799.94 289002.78 639153.56 278809.34 207241.7 135000.42 396054.03 411064.88 354862.84 512952.91 388370.84 322589.72 509071.34 287675.84 138602.02 557484.69 469916.59 427125.16 551429.69 577755.31 557797.06 480736.75 544016.06 404139.88 375499.62 410562.75 442879.25 460151.66 375498.16 412507.78 65510.05 36646.36 200839.61 284929.25 185090.44 281534.28 130699.04 205481.75 171612.12 404270.12 98502.31 89909.55 175702.55 121947.82 174686.86 368501.84 31063.74 457463.12 28153.62 390554.75 356211.22 105262.4 203654.92 105868.38 482355.53 238116.58 112573.18 230278.62 621140.19 358660 303436.16 156785.17 87701.2 85339.24 36473.11 405665.25 97111.34 252626.95 95193.57 773839.75 526762.31 306575.28 344403.66 522627.28 346395.34 502235.72 395574.34 559758.19 403864.59 397265.25 561506.56 333148.88 464723.5 CTP 17072.17 39155.52 32848.83 41980.54 11258.34 38334.16 19350.45 19215.71 28826.4 41451.65 30604.48 17162.53 22895.18 20170.76 29486.67 23617.95 30821.21 37213.96 20015.3 26523.05 21183.11 37356.06 32261.83 49647.39 27104.91 17968.56 17071.21 21825.41 38058.5 15700.59 16985.22 38177.87 31909.6 27738.15 30873.2 33115.21 18479.57 33011.76 19467.37 29415.26 46143.31 18551.33 30451.12 26058.38 30465.6 33439.2 13436.24 22555.47 28066.6 31957.99 29582.52 16847.53 23922.09 26679.45 36135.99 9523.3 17721.84 32738.19 31643.56 30653.16 20133.37 22489.32 16791.07 51372.63 62566.75 24265.3 19128.58 16822.78 28340.01 26319.11 32166.5 33104.39 13454.53 27695.9 20422.54 21552.76 32016.94 24381.78 51026.36 37212.05 66992.19 28480.27 28673.01 30328.9 36698.18 19686.47 40159.97 26949.57 20143.15 62273.44 21901.25 57105.16 18263.54 19230.27 dCMP 0 78552.48 25894.24 81660.56 59637.04 93522.19 52186.43 24198.98 16210.3 76175.13 102397.34 21958.17 97324.2 36918.49 34548.95 47800.05 57210.62 136529.77 27390.96 110709.78 82647.1 31636.23 70771.53 82496.76 51828.37 13399.75 63492.17 27393.78 38818.21 91946.77 65835.9 26180.06 135929.83 73034.21 41282.65 67750.16 66048.35 37015.96 30029.08 55133.36 28548.75 68171.12 24884.37 24813.81 18230.21 67942.2 43241.12 0 35518.59 50648.13 52409.84 37249.75 68548.09 28468.26 66331.02 42686.42 60458.45 22239.78 100297.95 20508.68 40851.67 129238.66 49776.85 0 62242.59 68395.79 51842.87 57277.84 38413.89 22771.48 25704.25 86951.66 53829.48 28075.85 83517.86 99210.76 26525.67 56878.97 60819.28 62491.52 103703.12 98045.43 54891.36 126982.31 50131.93 35513.98 64358.11 28674.59 84379.05 0 34889.98 26593.73 88942.05 71347.83 Thymidine 54766.39 68764.38 72763.16 38918.58 45217.89 65210.93 122200.28 15892.91 121963.29 76346.98 85533.52 35106.17 50066.83 59379.82 45963.45 28630.63 65349.77 29717.23 63054.82 63742.43 110576.55 56704.98 85557.85 38772.47 59598.8 79397.66 39318.29 28388.64 25810.65 23448.12 49472.62 49856.21 34287.59 26553.85 91009.07 77753.47 32487.61 57380.61 43299.06 36596.91 43563.04 58074 28928.51 101180.16 98378.84 74007.98 95832.56 163874.09 35166.82 144166.38 20537 100238.25 27101.13 155348.59 31884.71 82759.44 183396.06 75080.96 76420.19 26637.05 94656.05 47728.04 45628.45 83379.18 140512.08 14643.74 60549.31 48935.98 69335.88 33408.89 33322.49 122219.91 88575.32 28727.57 110377.49 27287.08 58786.86 79487.8 22326.01 93835.19 101866.9 63808.27 38470.25 60807.75 24158.47 22613.09 50746.86 53428.67 88373.96 39710.03 42180.84 70963.82 58367.04 75615.27 UDP 1209163.5 1064005.62 954768.31 1102328.88 1044968.75 1085199.38 990431.5 1426843.38 1289228.62 984025.69 1360332.5 998075.31 1374864 1229138.62 1120886.62 1180804.12 1002991.5 900433.81 1209563.5 1118579.88 1289716.5 1372516.75 1023068.19 1361437 1339171.12 966461.44 1293878.5 1241418 1110821.88 1401887.12 1404043 1291076.88 1303701.88 1529428 1363592.88 859652.75 1280792.88 1228797 1214295.88 1188327.88 1162001.62 1228600.12 1362836.75 1125247.5 1068482.12 1130740.25 1197396.38 1419457 1315673.5 1367844.5 1257809.5 1123211.88 1218698.12 1086179.38 1337132.75 973964 1317978 1208199 1247130.75 1263304.25 1502068.12 1077712.38 1452003 1101765.5 1283518 1099170.62 1120074 1373577.88 1365832.88 888517.31 1290877.12 1075019 1148717.62 988746.31 1067880.38 1233335.88 1176263.5 1336979.88 1303501.38 1157868.88 1236943.38 1156595.38 1030876.94 765114.5 970629.81 839447.25 1131570.62 904430.31 1130247.62 1208960.62 1047473.81 1233517.62 825705.31 1131476.25 Uracil 43786.43 16381.27 35290.14 15589.17 31938.94 36500.51 107972.03 57002.11 48528.62 33716.2 22832.8 22893.99 28908.21 41889.84 28248.16 16620.29 37824.41 27479.37 25453.19 26826.2 32889.05 23108.78 45384.53 39651.43 67864.55 39230.96 38708.68 59160.75 25639.85 33450.44 26242.12 43631.61 33234.61 47368.32 30574.98 20920.92 40419.7 42817.06 40995.25 41863.29 38522.68 25974.01 33205.45 25819.05 26864.34 34648.91 32479.16 32329.73 17666.95 37269.08 53332.38 32949.21 19154.11 36047.13 26739.77 24762.49 44445.29 31686.66 54015.83 22061.36 41403.73 25821.85 23669.89 65958.82 55420.25 33197.39 44438.02 41506.34 49093.4 46048.18 42882.8 15424.26 25483.06 38458.43 23732.94 45678.59 19353.72 40620.18 40293.42 32353.93 85233.23 64190.87 15641.97 31933.34 39271.83 36151.18 56043 27659.46 47284.09 42038.3 35339.43 39125.6 24995.73 24066.11 Urate 29498834 32852150 40008444 30916496 32949402 26590246 33513370 43121020 17795492 26168350 38181920 29313942 23893296 33687200 20691422 30911042 20017270 34899668 35563020 21314018 25720346 21759158 37713892 18380172 19151610 3906719 14691259 24512890 31803514 23944334 17966658 28628886 20521670 26341094 18061054 11601324 32557098 33433398 13743656 21793990 26632418 31585894 33182666 35277712 28410118 22204928 26952586 26718910 23246018 37287284 44117964 41509560 26786800 29233962 29502184 30532922 31494586 27557246 36932348 32134950 24286894 34501940 36773408 21390308 36206304 29368880 39367188 37064072 35655528 36936044 33733924 39191600 29003224 22355600 23332866 32530050 25318512 25617978 22299592 42487140 20698304 34504492 27006606 29036256 23023082 24273410 26260102 30457542 22486474 39541364 33829964 34302980 20536332 28674254 5-Hydroxyisourate 2756889.75 2315209.25 2845778.75 2173312.25 2056171.38 2506928.25 1652388.5 2168537.25 1422259 1660013.12 2295832.75 2403589 1530892.62 2296238 1551537.5 2843221.75 1414024.62 2384284.75 2803494 1150806.25 1468480.62 1363959.12 2235316.75 1064158.38 1332618.88 25817.14 1085287.88 1438838.88 1840619 2459308.5 1090182.12 2525008 1249320.12 2702245.75 1527657.5 1087307.12 2961967 2362524.25 1040315.31 2156178 2332637.25 2472332.25 2275864.25 3269728.75 2721390.25 1912215 2256489 1838137.38 1935190.5 1939502 2486643.75 3376395 2041498.5 2091941.5 1971268 2238106.75 2666302 2297667.5 2647499.25 2143140.25 2163782 1906569.62 2545855.75 1570215.62 2326987.25 2523719.5 2831923.75 2845734 1737701.5 2867875 2189134.25 2052806.62 2395851.75 1985284.38 1889171 1766143.62 2044660.38 2345955.75 1523325.88 2540034.75 1517715 2441427 1383140.88 1821187.12 1316654.38 1564138.38 1618244.62 2919749.75 1764641.88 2599507.5 2143722.25 2077440.62 1421048.62 1217149.5 (S)(+)-Allantoin 176753.25 19150.31 92221.34 30047 65607.79 91121.98 65241.22 26815.93 15507.16 53438.08 40256.68 88853.56 25311.29 33816.92 12372.79 44267.28 88297.29 37901.59 61033.55 28826.34 18687.68 12281.1 29859.07 18424.66 21115.79 4478.45 22205.2 27555.6 18510.61 57790.89 26315.06 33761.84 45136.45 24220.62 19130.63 21738.91 28324.67 86082.04 16548.97 20440.87 24335.5 80324.62 57530.33 64330.04 132720.02 41426.73 96335.59 38460.42 11475.13 19393.56 66899.47 122949.7 49627.21 93203.96 37568.23 27851.41 106845.88 250853.98 89277.48 23933.52 143853.8 27274.43 48779.46 15534.17 200059.08 61841.47 68611.5 119954.21 19933.51 30749.34 38010.03 32958.67 53426.19 72823.19 95764.88 32525.11 30365.86 31451.29 19404.07 29515.78 15861.22 86357.38 46185.92 17485.07 22688.33 42570.23 21990.71 43839.27 17702.35 43525.59 18075.02 38940.77 20094.24 40206.81 2',3'-Cyclic CMP 165470.67 236044.39 241843.5 224284.2 343344.12 89689.16 240940.27 158433.05 124506.12 160831.17 100833.52 142950.55 96766.15 162262.2 163582.22 59089.49 263563.59 209479.62 116164.21 214912.95 133059.42 166111.45 279668.84 219257.11 152686.67 36810.46 263105.25 164318.05 281664.47 178286.5 213845.48 165620.27 205405.14 163745.81 151508.95 185899.64 151088.14 179483.33 201326.23 177536.92 222934.8 128680.12 145818.19 129595.6 180992.06 190781.25 111171.52 230863.05 198843.7 131300.3 340175.5 221421.36 192473 238111.27 225428.92 254650.31 106164.28 189787.45 198058 94638.62 121350.41 201613.61 146904.2 203193.23 251732.81 228193.94 216836.64 291719.78 181398.08 227810.94 207688.17 203316.42 238485.42 87267.05 167592.08 225410.39 224852.86 115668.09 181648.7 160694.11 78119.43 321630.69 245684.2 208105.33 220075.92 194050.92 145821.17 230683.77 140250.98 173713.53 227998.62 182179.38 162428.45 263467.78 Pyridoxamine 5'-phosphate 0 83977.68 17768.99 121768.13 99298.74 0 131406.3 9502.84 0 126314.2 30350.82 41162.08 8576.35 36256.62 0 24752.53 10595.93 100052.31 11517.1 20569.96 0 0 0 2807.42 5658.01 17234.7 0 0 0 34031.63 0 11897.12 9196.33 17096.36 4574.95 0 19645.96 42185.03 3345.11 0 30173.3 17410.46 0 50259.14 17166.24 17810.59 0 0 0 48380.68 47541.11 77241.72 0 62152.96 0 65559.79 0 85691.88 11946.91 73941.65 61487.94 0 0 4206.11 85504.01 0 30218.04 41994.48 5971.55 34079.81 16364.75 3550.96 4954.9 43560.22 0 68594.75 46098.91 0 0 131962.28 0 29867.97 0 58154.23 0 0 0 13466.2 51630.8 17827.24 0 0 18692.54 0 UDP-glucose 4683.27 0 22709.09 23051.13 36176.22 6280.07 6789.93 8614.44 14392.18 4748.14 15247.46 0 17523.69 18711.47 17361.16 22425.56 14646.08 16660.2 20247.84 4527.6 0 0 14417.14 14077.62 15350.03 18983.11 20960.44 0 20302.66 14068.28 32520.06 24461.38 16091.12 16132.77 13052.73 10161.59 36480.14 0 43558.77 0 19737.66 29567.08 14037.52 12923.99 11716.05 18793.47 0 18477.6 0 19692.24 18598 21230.87 0 0 15232.06 3431.16 3292.36 16209.84 18621.56 18565.03 36858.73 14986.8 9662.74 10089.91 1343.88 17483.22 14524.6 19832.52 22198.99 13315.17 0 0 6948.89 0 17495.25 15134.15 14654.92 23468.4 13001.33 0 0 2493.43 15995.29 0 0 0 7679.99 10941.66 18861.2 13750.33 21228.61 0 32298.69 24709.6 NAD+ 47348.35 58278.72 49503.67 26436.44 0 40159.27 26568.78 32687.33 0 0 0 45886.48 0 18307.39 33295.82 27205.64 56871.42 20682.5 71981.52 49280.61 63692.84 47382.06 0 35491.89 0 18631.31 18794.37 20397.53 0 0 48676 25529.41 0 56565.5 17870.51 34484.93 64884.89 76786.89 0 30212.05 40278.94 0 18295.5 25946.08 25902.09 0 0 0 0 44517.04 18518.2 14385.69 71260.76 33440.04 25189.72 20263.41 28617.86 0 38832.86 25787.69 0 47166.81 0 0 0 0 0 0 0 0 25824.12 30889.34 44460.07 35405.65 56461.62 0 50852.82 60491.58 30891.47 51343.43 0 18188.57 0 91866.75 0 0 19339.61 20412.51 17221.28 7876.95 0 0 32404.35 0 NADH 9800.68 0 0 9973.84 0 0 0 0 0 19486.13 0 0 0 0 0 0 0 0 0 0 0 12949.61 0 18965.61 0 0 16101.08 11906.78 37387.81 0 20967.82 26370.02 31819.29 0 0 0 0 22043.47 16046.77 19204.71 0 0 17575.23 0 0 13190.34 0 0 23398.87 0 45594.08 19364.64 0 0 0 0 25362.93 0 0 0 0 14431.38 0 0 0 28912.09 0 25545.8 21094.95 0 21775.93 0 0 14581.05 0 24894.48 0 19281.9 19514.46 0 0 0 0 0 18409.06 0 16770.64 16324.25 0 0 0 0 9661.46 0 Phosphate 2968730.25 2403875.75 1034861.69 2079231 1554882 2363304.25 2832191.25 3701734.75 6016928 3097952.75 7518719.5 2126812.75 3031562 4439490 8098078.5 1936288.5 4011076.25 3002906.25 6069689.5 6280750.5 2878655.25 2771095 2703614.25 4508726 9374799 368903.66 3417113 3075351.25 1086583.38 4081631 5565601.5 4967181.5 7715411.5 4548522.5 6232876 3378032.25 3721438.25 4045121.25 3397706 7246294.5 6850479.5 4594221.5 5433362.5 4012063.25 1656216.38 5671864 4855336 5914026.5 4811975 11039663 8235096 4611568.5 9312215 2390404.25 5190217.5 7719766 5933444.5 4325235.5 7074628.5 7917422.5 5894052 4198065.5 3543453.25 3784488 5676845.5 5370415.5 8769773 4216374 5463556 8258550.5 13132191 4204487.5 3600412 4721599 7949789.5 12675445 7011007.5 5831808.5 3349610.75 10815617 3155331 2265534.75 2474687.5 6219571.5 1565965.38 2292138.75 3172825.25 2442097.25 2934046.25 4803127.5 3730096 8784086 12851479 3560787 D-Glucose 42834692 49497900 52465260 52497356 48225540 55086208 56275996 51001828 55362352 64769808 53099756 51644448 53003104 55034548 42136588 46877228 46642288 70144696 55205748 51110768 67838208 46973492 46047700 49178804 42781200 37354652 51015068 54611156 47035332 48935840 47936512 45019060 65203456 45299900 50253500 46661652 49281068 35548356 53421104 50766084 48420464 47662828 55195328 54474780 52105492 48244224 52066268 78570616 46799148 56260492 50364620 46616320 42444112 50200028 49961388 47568276 67226128 57236032 53722980 46858964 59700640 58540340 49256076 47496416 55310892 43061780 54381044 48705184 59473900 42071408 45262084 50786164 56083012 43970816 52448276 48743892 59543052 48254444 43528404 39867412 52130212 51813652 50764684 59727876 44033580 40932824 43483500 52137412 58987056 47522868 44413436 46126252 50008436 55387840 D-Hexose-phosphate 205451.7 194447.94 230555.92 254934.42 195874.89 184293.33 236341 235371.67 213948.55 247864.48 308516.91 144964.08 149779.88 208434.88 243431.92 152770.39 202283.95 199353.08 230339.06 259515.3 203280.17 172922.31 233192 167540.62 319931.84 197778.8 164375.69 164427.14 139832.52 212118.3 184004.94 167228.36 277524.16 201340.89 198491.12 173135.78 241629.27 209274.77 172035.97 194709.44 254894.08 212752.5 368440.09 211517.06 158867 148694.33 156318.39 288434.5 319947.84 282925.38 272214.69 453475.47 365620.28 201103.36 172486.02 157547.52 187381.73 304333.06 249677.06 317231.69 242834.58 242048.06 387701.25 256358.12 220484.14 310652.03 233839.62 208822.81 236557.39 177239.77 223331.33 194144.89 149551.55 334959.12 186614.62 323776.72 170825.03 191776.83 456750.25 492327.41 170762.94 202055.38 268725.66 267456.38 136754.97 216151.19 265258.78 178204.3 218781.08 326553.84 191901.88 249689.23 265863.25 161543.69 D-Fructose 1-6-bisphosphate 31334.28 50251.37 33001.97 85659.96 59556.05 98307.79 0 100135.09 0 0 42179.41 0 108022.95 31353.52 27018.14 0 0 36162.58 63440.07 49053.45 0 29220.03 29964.21 0 0 0 0 28718.34 115105.05 70467.66 0 77273.88 38818.87 73823.99 0 0 45243.59 0 0 0 33306.4 0 61649.14 41460.07 0 0 23762.34 0 0 55918.14 28652.2 116612.62 0 0 0 25832.6 57296.75 33001.39 94526.56 36418.88 0 69487.88 46684.91 0 82214.48 36735.14 111945.06 0 48451.75 24430.51 103436.22 87904.46 0 0 0 35746.95 0 0 0 0 45465.77 35229.78 26435.79 52724.88 0 0 60066.11 40793.07 0 0 34063.68 0 0 29997.59 D-Glyceraldehyde 3-phosphate/Glycerone phosphate 3238.53 16133.63 16161.83 45008.01 27681.96 0 0 7618.15 0 8574.95 10939.02 3096.93 0 17705.44 37361.09 19496.76 10949.7 0 9743.44 0 3112.19 14899.21 8674.12 0 0 0 9076.63 0 0 5939.96 8764.28 21327.36 11785.23 4798.77 10134.08 4195.47 11415.23 6391.42 0 3507.57 18027.24 6937.98 18873.57 3933.13 17487.64 9354.32 7403.76 10651.01 8489.11 9025.34 21276.38 1451.03 5171.84 3476.45 1943.43 3616.16 0 0 12625.7 0 13801.19 13673.19 11887.08 28500.27 0 14410.06 31367.48 3223.69 0 2770.47 0 0 13766.63 18534.67 18033.05 2429.95 0 14785.41 38980.05 17462.55 12476.98 36563.04 7432.72 9692.02 0 0 0 9462 10856.92 30882.97 11192.47 8039.77 31113.41 6033.82 1-3-Bisphosphoglycerate 42417.79 20979.75 26079.83 46038.51 43081.75 17146.87 26901.21 53638.01 34986.11 50973.57 53985.29 28831.47 43650.31 17260.81 47953.9 21923.11 31801.31 25793.41 68441 22598.49 22872.17 26124.37 64076.77 25024.13 48532.6 41304.41 43193.05 35129.35 44148.78 43334.72 24481.48 30873.79 45575.46 22274.21 25297.5 26463.85 47247.28 29966.12 69626.96 28302.72 32663.71 42084.86 65161.25 41227.43 28498.44 43343.99 21959.15 56299.72 46872.58 25036.4 43698.31 37573.61 24801.36 23861.76 62957.48 41617.02 26136.6 42585.6 26192.62 25085.54 85055.3 66629.34 51651.12 69025.71 60317.44 26134.02 21257.17 39644.9 52078.28 46017.99 33668.35 59796.06 24629.61 51394.57 36380.17 50368.73 61486.9 44843.96 28619.77 29735.34 42779.75 31932.39 41256.38 30474.31 28666.23 32018.19 26787.73 65858.32 23182.23 51802.96 46279.78 58921.39 58864.71 41697.24 2/3-Phospho-D-glycerate 1896.97 0 11411 22587.48 2497.34 6997.82 13564.91 7605.94 0 39498.2 0 1155.1 1412.45 1640.59 14479.07 0 0 9015.49 1929.83 46013.61 8044.07 0 10967.93 0 26082.4 0 10353.24 0 0 7689.52 0 0 9533.23 10962.36 9567.39 0 10214.25 8017.98 7624.06 0 7134.63 0 66441.46 10031.39 6140.52 0 6725.92 0 67283.79 5831.62 12933.16 26264.35 23665.63 0 0 4438.16 16652.26 15972.03 12358.21 41686.1 18732.55 10235.55 0 7454.03 10987.35 3063.74 19118.93 0 11886.96 0 3869.88 0 4615.31 23215.23 2113.57 59034.14 8307.34 8400.08 50434.12 13556.83 2019.28 6826.73 0 1635.18 0 0 11589 0 9516.29 8389.53 0 1556.13 0 2118.72 Pyruvate 3993909.25 4456118 4995754.5 5122985.5 4262690.5 6020625.5 5372441.5 4443855.5 5988531.5 6138107.5 4685500 5707048 5537420 8265674.5 4635325.5 6771324.5 7109769.5 9495025 6332920 6640203.5 7283552 3276107 5026669.5 5033979.5 6869445.5 7124463.5 5330600.5 5029350 7702453.5 6498510.5 4215155.5 4937842.5 11643371 4281427.5 5720902.5 4062671.25 4685535.5 6056763.5 5682430.5 4100293 7154876.5 5338565 5371281.5 4433340.5 5583469 6819744.5 5815733.5 10885020 3700695.25 8343285.5 5173368 5504533.5 4968011.5 4861236.5 2758463 5643638.5 6747633.5 13152693 8310785.5 4820224.5 5999208 5388051.5 2769563 4435374 6115084 5126412 3238041.25 5617320 6203374.5 4407490.5 4641631 6705905.5 6066662.5 4571976.5 3991900 5902476.5 6584424 6611722 4043786 4647159.5 6460782.5 5427411.5 11272588 6159668 8202245.5 5557754.5 5198904 4402885.5 5471593.5 4162070 5386038 6749006 7610921.5 4444793.5 Lactate 52251828 44392852 48524880 68215720 34195988 64472508 56863812 47193508 57215604 50865836 51782016 48675156 47973792 57574164 53735756 59858800 62226176 66265820 61617524 65289712 61772788 44715220 65089696 49775228 54699428 53730896 45125744 41552196 68281824 53364980 42158864 42910976 68408424 45530660 40501612 41961600 41859412 63632612 61138592 36632228 61225612 75492264 55872512 52501332 45291444 49161248 57444704 99901960 40850624 64358832 68028352 70287352 53850084 64919460 42512124 47688576 47414900 123498968 60022832 51974900 61666336 53712948 63661012 40815588 54574604 57855884 52711104 63943500 49059072 37708668 36476612 61335008 44238628 77418736 55746172 50485772 52292364 61096020 53573404 67004188 39182164 62213908 87109344 46226020 58278848 52358912 40414388 34869636 51610972 41728732 53863508 57488116 56499740 52528172 Maltose/Sucrose 75576.25 27374.69 37988.6 60273.96 0 60436.23 65791.54 0 15986.59 101185.41 22587.74 15881.03 29177.03 23272.03 89821.09 0 50231.66 908233.31 31948.79 34701.73 33428.36 34865.74 746596.31 15785.22 0 28464.66 232955.58 148617.55 422251.66 2040337.38 29620.79 39516.69 85318.52 57389.64 0 0 422149.47 67222.8 65661.37 33381.43 25697.98 62042.51 43859.99 64292.99 0 459529.09 25392.21 128950.23 62543.68 1192850.38 28327.65 35732.37 12967.93 125142.55 57938.07 24211.69 56572.88 64180.43 90608.55 65264.1 26873.3 24938.77 21798.61 29929.16 28258.94 33247.95 48493.5 21141.15 66488.08 92714.59 76344.62 43166.75 138876.31 3443553.75 71625.5 22599.98 129717.48 81162.98 37952.45 37080.82 29806.25 69206.22 703063.69 38586.82 175599.83 14587.42 91199.59 109626.79 109606.91 96809.38 60478.88 33440.96 59837.73 23114.12 Mannitol/Sorbitol/Glucitol/Iditol 517668.66 1037272.31 1324979 1063345 2201094.25 1033108.31 2789153.25 793839.19 6048789.5 744362.81 1254056.62 2985296.75 801670.06 4896342 883364 3282157 1366619.88 2053742.12 3674266 1400973.38 903696.56 1194569.88 986395.25 1071691.12 952029.94 13004191 999392.5 1140998.88 1125195.62 826621 950251.5 1061272.38 1107945 1503439.38 865167.94 658354.88 1082057.38 1065152.88 835415.75 906251.25 890418.31 1052842.38 981941.06 878358.5 771546.56 2677074.25 829105.19 1104807.88 930217.75 904235 1040642.31 756329.25 784246.5 852265 911459.19 1477978 1009852.56 1318382.5 1179412.38 1061162.25 904199 1054199 1274970.75 3612159.75 1022716.06 1109094.75 1056498.88 934175.44 1188956.5 969981.81 916783.56 896172.5 1568465 784332.06 2295652 843972.69 1452480.12 717410.81 822415.75 1157686.5 849629.06 962978.81 946273.81 1035374.81 835024.44 861985.19 870850.31 877420.31 2039460.88 1383936.25 1279416.62 26609760 1003710.06 968819.5 Ribose/Ribulose/Arabinose/Xylose/Xylulose 1540371.5 1393909.5 1721427.38 1550837.12 1967168.88 1946117.88 2185397.25 1695903.38 2357013.25 2310624.25 1789474.38 3329203 1715969.12 1960565.88 1326192 1885891.5 2150351.25 2411072.25 2085643.12 1817614.62 2298266.75 1457992.38 1523421.62 1537019.5 1556183.38 1597369.38 1916493.5 1756830 1603558.88 1649122 1572680.62 1747287.62 2209801.5 1655781.38 1615544.12 1951375.38 1674641 1518469.38 1836772.88 1718326.88 1711572.62 1681553.12 2038387.38 1853678.5 1788810.38 1690404.38 1651312.62 2705062.25 1539867.38 1921520.5 1614506.38 1688341.62 1364202.12 1729018.38 1844994.38 2395122 3319944 2251794.5 2222966.25 3448950 1980218.5 2077675.38 1742365.5 1712488.62 1599826.12 1552051.5 1930673.12 1827231 2000860.62 3127496.75 3607639 1715142.62 2056131.38 1620997 1584602.5 3992144 2841744.25 1659250.12 1595528 5001708.5 1885622.62 2013184.38 1942070.12 3228148 1472572.62 1456863.88 1297872.12 3548766.75 1985856.62 1414134.38 1781182 1595898.5 1862749.38 2074331.62 D-Rhamnose 5308348 5995344.5 4046381.25 6093307.5 3251508.75 4402195.5 3957585.25 3677378 3824518 4576587.5 2850537.25 5210300.5 4874531.5 3726653.25 4928015.5 3739602.75 5267548.5 5711634.5 3218631.25 4769311 4928698.5 1905891.12 6110050.5 3064393.75 5311781.5 3554996.75 1332894.38 5559503.5 5344656.5 5606224 3000937.75 3240244.75 5718726 5653848 5920697.5 2564770.25 5150831.5 7252932.5 3500700.75 6515625.5 5838644 4424279.5 7486542.5 5220712 5336194.5 5006174.5 3585661 5477610 5561544.5 4904544 3996500 4086692.75 3676730 5159289 6653645.5 5544118 3483207.75 3138473.75 5195822.5 3887184.25 3172048 5717435.5 6931832 5049425.5 2872006 4608542 5003179.5 4106610 6412882 4086129.25 4999475.5 8862168 4643436.5 4411685 4787586 4544867.5 3701935.25 6624720.5 3807842.75 4128782.75 5216174 3830976 5482956 4065300.25 6163425.5 3771210.75 6102571.5 4782249.5 4154095.25 2974935 6249122 3116468.75 5817868 6514612 D-Arabitol/Xylitol/Ribitol 247926.48 302342.22 350946.16 334324.72 463912 229731.88 402193.62 242714.48 306058.34 334047.41 253006.44 375028.88 420631.84 395194.59 189798.67 308306.62 234742.8 424167.12 284558.09 330677.09 377909.16 287761.41 375248.22 390696.53 351392.59 4572716 310762.59 255067.36 510695.41 276197.59 255074.62 450284 319319.97 293123.22 327087.44 233922.92 406387.38 468597.59 263921.41 290621.03 189349.27 253464.62 425943.62 311489.78 402722.91 353596.47 398525.66 417694.66 235537.8 366784.72 466508.47 418324.91 284169.25 418955.28 455147.91 327265.09 373875.78 445092.12 482655 322891.28 336661.28 305797.09 460266.88 312010.59 425944.59 450820.09 363420.41 346890.91 322591.59 425057.34 433408.41 480796.5 324691.97 443518.72 335168.41 481988.09 356926.34 223644.86 294184.59 242114.8 385484.22 673717.31 358152.62 375279.75 276551 376659.72 412038.09 356153 361995.59 302166.91 497945.59 341606.53 411112.91 412908.53 Citrate 77395640 113486528 52321732 107733992 97751704 66747428 108434904 116879560 96238136 91063776 88227960 58328964 111161432 95445344 125663320 67587432 119442152 86184640 92721640 126453952 101424088 94441304 115840216 121610432 131127720 265864448 86465800 102159768 104364072 65850140 96148160 70499424 115637824 72317488 99550888 84408472 55551420 80288952 95170728 78379656 70901448 66552900 102680568 71744888 62195820 69972392 55263492 99390184 116495448 90028296 108097048 72099728 154526928 78353960 104283528 70520776 60803740 80690744 65539212 94311168 61523788 108859000 98965880 111550104 72081384 97907368 65264244 78773688 100401408 68338600 74267080 114132632 89177456 67072364 74002984 108223016 89679744 62094204 114447640 99331200 112159384 75451832 138854512 89650272 126945888 107401024 112973448 46727412 81802072 94230536 75103224 92477760 104275432 109736712 2-Oxoglutarate 4434035 7968157.5 9114219 7744560 9278953 4812275 6274962.5 4749481.5 4442174 5098110.5 5248195.5 4348752.5 5407664 6804714.5 5890570.5 4996680.5 6433220.5 6100523.5 4174564.25 7428820 7201740.5 4952852.5 6420701.5 5534730.5 5226067 172310.56 6447817.5 5480891.5 6151902.5 4087201 5201056 5444660.5 4701125.5 5616294.5 4802762 4000915 4391826.5 4780644 4365143 3632697 4759049.5 4482392.5 5109337.5 4537595.5 4062996.25 6866241.5 4687900 5905302.5 5454749 6064509.5 5511227.5 5155886.5 5937806.5 4067946 3840694.75 7200600 3942911 4773600.5 6764966.5 6027798.5 4862231 6021326.5 5739025.5 5891430 4615014.5 4787803.5 4368772 4571935.5 5056704.5 4543142 4738317 5931656 5063151 3320313.25 5162679 5932366 4281490 5636067.5 4570832.5 5242175.5 3899414.25 4867622 6246593.5 4660488 5254800 5061971.5 5039188 4576486.5 5902017.5 5414868.5 6323502 4356674.5 6076656.5 6848776 Succinate 830401.56 1580273.12 1573288.62 1544415.12 1978618.62 870674.25 1467511.12 977050.44 832999.56 1115252 1262757.88 777206.5 1011970.5 1401038.12 1299273.5 902925.69 1292055.5 1170241.12 1066231.5 1700317 1536099.88 1078363.62 1760645.5 1291334.62 1352471 235389.77 1303988.88 1463090 1445513.38 850111 1070317.25 1280839.75 1125905.5 1048068.5 966788.06 621252.5 951091.56 1321201.38 1049904 1070947 1575694 1409131.62 1458419.88 894855.19 610110.25 1362020.5 988532.25 1441286.12 1069503 1471525.38 1370828.38 1286812.12 1694096 1433653.62 1569697 1263205.62 675570.75 989987.19 1259148 1271732.12 1012678.75 1484883.38 1828687.38 1495030.62 1128449.38 1606873.38 1386776.88 1210615.38 1104540.62 1034201.19 1011123.25 1737388.12 1079784.88 1126916 1213807.38 1442220.5 1337977.38 1437510 1068249.12 1242895.5 1116000.88 1691547.38 1300761 1428152.88 1334310.38 1223565 1232631.38 1118974.12 1234297.5 1181808.62 1237369 970724.5 1357672.88 1332650.38 Fumarate 247179.92 418246.97 470122.75 452905.97 498071.84 404758.62 599788.44 347528.62 280529 339042.25 296316.72 274339.78 327536.38 467219.75 376448.91 356702.34 323339.31 362083.75 324814.09 380536.38 392214.97 233875.3 474246.59 353570.75 322825.16 2085421 386533.03 326834.66 446238.84 285439.34 343285.88 400229.12 307618.12 274891.81 250731.98 226416.2 244519.67 372803 263059.84 224163.67 395557.91 283207.31 354017.5 263678.03 292894.62 385427.84 282072.56 380901 293023.19 282327 443588.59 332568.78 443402.09 418784.88 297481.75 275438.53 219893.7 394253.97 264028.78 257322.94 277658.06 391652.34 391432.25 408171.72 278117.53 306157.09 214733.3 249896.55 302313.12 206326.33 205587.14 433155 347590.19 351097.34 352912.22 286632.28 343412.72 310482 332739.09 390862.25 261437.38 408755.47 388062.59 353190.09 324983.72 400082.53 315875.25 244395.08 486766.03 289953.22 341896.34 256968.69 286159.03 461758.5 Malate 3559668 5392443.5 6637765.5 6196784.5 6546642.5 5007001.5 8500343 4601101.5 3704041.25 4754938 5401562.5 3409890.75 4671899.5 7046764 5004402.5 4134132 4706465.5 4535441.5 4856039.5 5808144 4630875.5 3307680.75 6579510.5 4160359.25 4931996 354150.84 4498945.5 4443475 6145068 3687830.75 3292936.25 5482914.5 4488454.5 3411713.25 3597578 2932357.25 2610979.75 5413315.5 3290203.25 3887781.25 4907730 3956334.25 4759719.5 3562922 3334552 4570602 3264696.75 5336225.5 4507657.5 3914073.75 5804102 3793600.75 5384320 4501749.5 4485539 4174476.25 3210682.75 5300149.5 3544330 4080228 3974077.25 4910837.5 5488352.5 5499086.5 4068867.75 4240628.5 2853872 3861336.75 4120638 2521185.75 2838452.25 5633084 4532403.5 4399050 4519144 3952818.75 4492274 4276191 4745976 3684754 4428871.5 4902216.5 5381672 4510874 4173599.25 4892466 4091234 3427141.25 6452074.5 4293430.5 3862235.25 4572040.5 4407793.5 5250709.5 Oxaloacetate 74451.75 91678.59 31729.12 99411.25 109475.71 51578.94 77078.02 98275.5 85022.32 66009.69 98124.65 37238.86 111905.3 66398.87 126041.16 47132.4 95750.8 73983.23 100493.56 127657.6 92547.21 78463.23 110909.49 99542.5 95612.19 222384.38 82457.09 109011.5 131883.42 59053.71 76958.96 70672.38 130316.13 42112.99 83483.57 90278.94 44106.67 81688.54 87944.5 63529.94 39925.54 75284.4 88838.2 44754.89 45529.92 60528.79 40052.66 89731.41 91938.24 60406.27 99502.97 79197.2 103474.81 58467.07 81332.13 59019.31 98092.13 79483.38 34043.68 87682.71 45209.91 82485.35 104787.69 87737.16 82998.18 77936.16 61042.37 56330.07 87058.12 70004.81 68541.66 124300.46 80323.88 42936.71 73112.47 103235.93 77548.79 48103.6 64345.45 67323.27 89627.41 73043.07 132232.44 70703.09 95141.78 109962.45 97716.15 56063.56 72727.2 76184.09 88039.52 61583.86 85501.24 90156.38 2-Hydroxyglutarate 1326673.38 2504951 1951791.38 2401450 2695761 1583458.62 2252223.75 2438310 1990868 1941450.5 2622963.75 1459894 1975001.38 2473715 1369614.25 1578791 1893965.88 1985047.5 2264535.25 1749477.38 1267499 1622054 1766290.88 1485664.62 1097887.5 628511.56 1514755.62 1244622.62 1941875.62 1422095.38 1135159.5 1781540 1118755.38 1515624.38 1143776.62 1177209.12 1648863.5 1681629.5 1123284.88 1284178.38 1531448.5 1972504.88 1734291.5 1431491.62 1312427.88 1382114.88 1414002.62 2169343 1312380.5 2099304.75 1517084.62 1333359.12 1750863.88 1495430.12 1651539.12 1815415 1445957 2087194.62 1492830.62 2275106.25 1489588.5 1734733 1469539.38 1418601.62 1711026.62 1373320.5 1312297.25 1785622.38 1384327.12 1319383 1545411.88 1572462.62 1778288.12 1164360.5 1486465.38 1996820.62 1280629.75 1678284.88 1729899.38 2687040 1529601.5 1867826.88 2027193 1360836.25 1608220.62 1483889 1725836.62 1604285 1744143.38 2189049.25 1961493.5 2093740.38 1587200.38 1747691.38 6-Phospho-D-gluconate 85605.65 0 14150.52 127820.73 179055.89 37089.11 43978.17 153145.98 13086.13 26266.61 118452.54 0 44447.28 0 31850.12 36972.59 0 34922.1 34177.16 0 44034.97 64013.9 41695.32 14879.55 27548.81 19024.37 0 22774.7 28824.32 72606.57 27762.99 14579.79 0 57515.05 44155.99 26792.73 0 0 0 15924.08 0 24960.6 0 121949.65 0 29027.71 0 8970.63 48382.7 0 170958.89 0 96152.22 0 8671.22 33943.37 0 0 20672.87 35868.85 0 7216.71 0 13762.57 37461.64 17675.95 59970.61 16107.78 26972.35 82784.72 13321.63 31532.18 60049.06 0 0 38263.32 22618.85 71125.85 29225.01 114269.15 0 32305.56 0 0 0 19431.44 67174.02 34768.53 0 203955.06 28558.37 65434.53 12338.23 23772.83 S-Glutathionyl-L-cysteine 511688.09 515687.75 704595.31 967259.25 659504 485719.62 848640.69 447018.09 262513.75 767309.31 577810.19 601800.44 431871.38 461677.25 550613.06 528126.81 668529.38 673810.56 600612.62 757503.56 639932.56 751967.44 1069501.38 947071.31 1314921.5 0 602746.31 591185.31 793256.06 390919.38 711527 619747.62 1120699.62 472123.34 585415.38 519976.88 394729.59 1188374.88 683306.19 517314.78 426131.53 405501.09 1233928.38 493464.66 679552.44 384318.72 377144.09 534389.94 1170630.25 889094.69 855791.5 701942.5 485612.75 833586.81 662951.44 528508.31 228685.55 373024.53 589456.25 1020532.56 291911.12 769212.81 764135.31 772285.25 312958.47 930155.19 752321.69 397417 660723.06 465208.34 815369.31 927158.19 323062.78 730283.75 635084.56 1051500.75 731376.25 412375.41 1444086.12 699877.69 512640.34 737178.69 663158.25 872885.81 714674 646796.31 805431.75 783073.31 644437.06 991345.94 690025.44 577127.5 800143.44 735416.81 Cys-Gly 17977.84 12491.8 0 32770.35 12383.58 10669.93 10676.05 16240.64 0 0 19792 22139.11 0 0 9316.6 0 29596.65 11537.14 0 0 13034.26 8177.28 15294.08 30975.05 15461.42 77933.12 14699.34 19287.36 30918.19 8714.69 9972.78 20008.13 26384.01 8248.06 12238.64 7548.14 19754.67 11963.45 24579.65 16218.15 8179.9 0 17339.61 7203.65 9770.14 10071.81 15789.54 21837.87 0 25308.6 26094.49 13763.07 0 13847.03 22586.41 11520.96 0 10650.49 22274.18 26231.85 6829.78 32084.28 44968.39 21150.79 9898.96 13555.16 13532.98 268047.78 38056.97 2481.8 22519.79 29481.65 10475.03 23852.47 16283 39647.32 0 9364.36 6653.86 13926.41 16307.77 19433.1 31778.1 22305.44 9749.63 11463.71 24883.31 19933.01 50310.47 11529.93 19316.62 10696.58 16031.29 18789.25 Ascorbate 269999.41 260008.8 351896.09 324815.25 407237.84 284604.03 338358.75 6033598 3053126 267311.38 7399250.5 360075.03 4465036 5840883.5 494400.5 368217.28 2598427.75 380025.66 5028587.5 3338537.25 1817460.5 6912349.5 4319701 5256393 339382.59 57835852 3148304 8333202.5 766568.19 1069414.12 2661895.25 1302331.88 537486.31 931383.19 1421595 3307950 2238367.25 1166753.5 2597232.25 2169139 4352558.5 6451154.5 2309552.75 256913.69 404325.66 589998.19 4283844 6401782.5 1904308.12 8936752 1488323.38 525560.88 4036707.75 645113.94 2001152.38 3627682 3236957.75 2700156.75 2178539 4902960.5 3475794 5658064.5 1295582.75 1343357.62 4956266.5 840590.19 1163035.62 3406168.75 4992881.5 931190.19 3252377.75 5238997 1561920.62 562035.62 2158295.5 8318052.5 1937751.38 1143705.38 2084147 12243251 4330045.5 1026411 3057809 1787103 3546434 1857362.5 3195810.25 365860.5 940100.94 5582952.5 4776498.5 6256008 412697.41 7141143.5 Dehydroascorbate 2805016.75 3918105.25 2004246.88 3812344 4649745.5 2552954.25 4444946 4320524 2866363.25 3974550 3414885.25 2154267.25 3994605 3449144.25 4360194 2418416.75 4195764.5 3433544.75 3392414 3925382 3199330 3095879 4021455 3782156.75 4382855.5 6121426.5 2710609.75 3066293.25 3461242.75 2200760.25 3080254.25 2441121.75 4436585.5 2378746.25 3217834 2619870.25 1810694.88 3169342.75 2655061.75 2409538.25 2281574 1983364 3411437 3220486 1983473.88 2627683 1823638.62 3235320.75 3598171 3329688.25 4388153.5 2965348.75 4663611 2852722 3279169.25 3053612 2768491.75 3259261.75 3080955 3314600.75 2262508 3593457.25 3311769.25 3114277 2558808.5 3365643 2607131.75 2356387.25 3483618.25 2885443.75 2706879.25 4081430 3110758.75 2209506 2808941.75 3994453.75 4014148.25 2137859.25 3418341.75 3803851.25 3225333.25 2330702.5 4347628.5 4125227.25 3547114.25 3018100 3372643.25 2007643.62 3691886.25 3306017 2511382 2886401.25 3796651 3490397.75 5-L-Glutamyl-taurine 15667.83 57246.94 23422.82 30395.59 42639.82 21111.99 37720.82 10044.42 14001.52 42033.53 25863.67 9025.59 11290.28 26161.55 17105.99 6065.17 17156.66 25023.93 32461.28 35285.76 22381.71 20983.14 15790.69 18204.98 31160.65 7849.14 13351.64 22180.35 13112.62 7525.16 22496.16 44594.78 18789.41 18161.53 16187.12 15238.84 10284.83 15581.71 10419.16 8573.36 26203.2 25470.62 12375.88 14671.05 14420.06 31546.52 14188.65 61972.14 25360.94 24817.91 34989 21281.23 35258.49 15677.86 7792.55 11180.09 21620.12 2938.56 21300.23 46490.12 32619.34 12604.62 26239.9 0 14078.71 22571.48 19902.88 13207.6 31797.08 8815.77 27238.73 18270.8 0 10884.79 34570.4 18580.36 16480.34 9326.99 0 27912.95 16505.22 15303.7 2865.36 30603.93 31912.69 19521.37 11038.18 28199.61 34940.64 13288.2 20515.76 23619.76 10482.19 13475.31 Tetrahydrofolate 25007.15 69197.58 74764.74 68299.93 162437.39 98735.25 119010.05 227506.62 88577.37 136255.86 137393.03 104833.78 79507.73 139394.83 112078.16 66316.52 154977.3 138480 152181.33 167079.95 68687.66 134769.44 311106.84 104640.38 168402.98 0 136333.11 47456.01 166798.88 123019.87 103806.41 202795.61 126502.53 279013.75 158662.36 57588.95 163704.81 174162.33 85728.38 82261.95 130401.91 311983.72 204258.12 66870.35 92624.02 143350.19 138712.84 169215.02 137630.05 195983.39 110192.18 134017.52 114127.98 168149.78 142464.2 140616.27 138163.62 140238.98 114276.88 222328.33 251045.45 151631.52 129442.46 150966.44 290029.81 93853.05 170711.94 338096.94 160913.92 107142.04 141003.48 183198 104121.41 216974.98 72471.46 189865.83 257619.83 119746.55 329757.66 429675.59 194449.64 66250.98 203423.55 229340.44 112469.51 309169.97 187405.5 80954.04 138022.58 214948.69 39436.86 181576.58 139361.86 78563.69 10-Formyltetrahydrofolate 243032.92 138737.88 528477.69 83864 146886.77 202270.23 135217.39 253469.64 786244.94 34761.09 159833.05 164702.05 389270.38 387031.72 212580.73 550290.81 211302.8 106124.09 508215.62 376594.16 329060.81 166529.12 357294.47 434621.91 340045.97 0 218657.14 221786.25 113564.74 189565.69 138738.78 209585.17 341695.09 526149.06 302556.28 393980.22 348998.78 219354.67 127482.34 153578.16 281387.16 793952.56 524325 423287.84 207620.86 105114.55 192597.42 435481.88 432998.59 730380 406216.91 668547.75 359476.38 160878.59 77065.57 583480.94 621238.81 278316.75 255264 573057.75 136972.12 412466 322550.72 218284.36 309223.34 423587.97 116280.62 175358 385999.75 389210.03 335397.09 646261.81 207035.27 271557.16 313992.09 167571.02 126649.72 352092.16 439806.84 163398.36 502231.75 47326.25 462791.62 122224.66 520282.22 516589.34 314219.16 116310.44 56944.54 396348.59 174894.67 404632.03 142128.02 90163.23 Argininosuccinate 15427.34 12693.56 52616.8 0 12357.09 19458.38 12371.32 31142.67 12400.16 0 12286.53 31681.99 14118.61 13981.36 18731.91 51268.81 21583.2 9920.58 9821.79 16976.46 15276.7 11722.24 27603.2 52295.88 38343.93 101633.76 32786.89 38193.72 29569.41 11178.56 47612.33 14168.67 47491.16 8514.02 16009.09 17344.13 11586.43 33659.88 21476.6 8729.09 0 6277.54 13301.34 0 44022.1 12202.99 10204.12 14277.62 0 10007.03 15724.62 0 0 17223.11 15545.53 0 10417.04 25721.62 11455.2 13987.07 14840.37 18705.41 11843.19 11929.35 5778 13528.38 14112.48 11338.77 8190 12816.94 10598.73 10520.01 12862 15132.69 0 12759.64 27463.48 0 0 11407.29 15153.25 21615.76 7680.95 30110.78 9458.06 13791.05 10455.7 31126.76 11823.68 15874.52 23639.59 14240.02 32876.43 27615.6 N-Acetylneuraminate 392306.12 397516.09 537813.56 373651.16 472429.16 426131.91 545849.25 433464.41 298167.34 410242.25 458341.47 330308.91 266426.19 438324.62 299289.09 337619.03 293673.62 459171.5 455523.66 308817.44 355269.59 379051.16 510000.59 409100.25 359212.41 3187109 356220.38 276033.72 467854.53 409199.66 391328.38 531415.56 359995.22 379207.38 285282.91 302058.16 495061.72 450805.53 311837.38 367713.59 348820.16 432350.34 429521.34 514998 441098.78 450055 353872.84 453920.84 317823.53 485053.09 525789 888062.31 429258.97 352672.12 339936.47 373669.97 513731.72 563695.19 696054.44 408788.53 463432.78 436939.28 618424.25 259633.75 675621 524362.5 649477.94 544384.31 498885.91 510727.78 460616.03 395103.84 336914.16 386024.25 459889.16 486402.59 325123.38 440603.84 368778.03 581624.06 322508.59 449696.53 328303.38 288345.72 272756.72 346846.88 298324.66 368280 505747.41 536557.94 292080.09 431811.5 379250.25 374772.91 N-Glycoloyl-neuraminate 23380.04 49797.27 33108.27 38667.72 28223.79 33957.46 30915.76 38870.02 24363.34 24683.6 49758.62 21737.27 22571.82 34570.2 37113.75 9488.29 48927.25 39320.74 20648.79 40265.99 16897.27 20670.3 30623.87 33212.46 25786.09 19431.31 45620.15 50085.01 23682.34 33248.21 29924.96 35994.57 77486.55 32824.61 64166.05 25918.38 27237.41 37818.54 54764.47 20269.95 20255.21 14584.19 39771.65 41651.43 32458.59 35917.16 23925.47 40025.97 77948.26 42758.65 58740.66 22348.2 20229.51 41996.5 24411.8 34368.59 39713.03 13264.41 83381.06 25774.45 13702.95 36258.64 24298.77 40276.71 47708.23 44664.91 65695.23 18306.5 35921.27 19682.47 18102.54 21814.69 30372.69 49978.06 47727.85 23250.51 24334.5 20203.23 19263.77 57187.29 40051.68 35751.96 16575.79 46828.57 17748.82 16108.7 12192.69 29523.61 16565.81 37746.75 34018.85 34637.34 44529.04 59299.11 UDP-N-acetyl-D-glucosamine 373227.75 192073.05 124183.48 235898.88 178466.7 403912.5 289151.22 235880.05 226358.98 292498.78 285203.97 385836.78 186712.27 208335.73 388092.72 473188.59 258102.27 296489.66 303314 320845.34 212011.25 274108.41 245888.27 279118.59 617250.56 0 366865.78 135863.7 405382.97 356022.5 343593.69 329875.47 398407.62 332832.22 302282.5 203186.8 424448.41 641327.69 238162.62 259278.88 367323.59 310890.25 269428.72 172974.98 249743.38 325604.97 339787.56 233505.44 237866.27 204254.08 217891.83 323011.66 264562.09 333827.59 127064.73 140682.42 467951.38 567920.19 345147.5 255174.05 302531.22 217095.23 93004.62 240401.2 342147.16 295596.97 375700.12 249636.88 147838.14 302518.91 235391.2 138403.61 188649.2 246159.17 441029.59 228975.73 492676.91 499511.53 250665.83 198283.02 309400.03 184660.83 230569.39 369418.62 211647.62 273426.66 274871.19 196239.05 217856.58 171437.42 97727.46 216948.67 489646.84 138363.86 Glycolate 681326 918886.44 1133718 859885.44 1365344.5 687787.81 963910.5 762858.06 698384.31 1038951.94 876688.25 799366.44 762065.25 818521.44 734474.31 693113.81 943446.81 977206.19 934723.25 809772.69 1001272.19 759211.81 933517.69 983086.25 703792.31 859549.69 889998.81 1015890.44 1034578.19 733480.56 816368.81 872027 687166.44 811058.5 770774.19 801718.31 800672.5 793046.25 1048329.56 893769.31 923893.19 1117509.62 771704.25 664188.5 948156.25 928840.44 778744.31 706918.94 925666.56 879845.5 822876.69 854467.5 758477 894617.06 806671.81 952739.06 867342.44 797448 864721.69 943018.44 845714 837150.56 903945.25 1008789.5 882224.19 947495.19 716524.81 933152.56 929821.75 972226.69 905151.81 1046155.19 846691.69 837123.5 818496.56 1174535 788017.94 800382.94 732565.81 829313.81 939719.94 1061220.75 1060147.38 862529.94 1020017.5 894451.94 765876.69 966352.19 1024584 887496.31 957809.25 861513 837917.5 1058288.38 Homocarnosine 622126.69 454325 220514.83 488842.12 249758.42 391500 154424.67 356276 295916.59 197104.83 680259.44 154206.36 475971.22 139805.52 205719.52 282311.41 62326.78 264317.22 239131.81 429703.91 405559.16 264219.47 0 376175.78 166032.19 266858 204333.92 324181.88 235803.33 234550.61 224716.92 204147.52 263550.56 286524.72 492751.41 579905.81 0 173623.92 507566.12 285430.22 295624.97 204795.64 325124.97 256765.39 263614.66 203214 316162.12 79888.13 320021 200096.42 532085.06 654781 320910.75 217997.98 464414.88 518305.78 168123.36 273848.91 232479.83 481628.09 312849.34 282988.84 0 250296.45 270458.34 407444.91 282377.56 445339.34 300344.25 149899.02 348921.5 272344.47 358400.53 87866.15 241639.83 157144.36 649441.56 258325.25 178982.58 270163.5 300114.41 147645.27 453366.22 503368.88 177011.89 334967.47 101348.68 344830.53 406666.88 399262.75 383681.62 366061.5 306234.25 469962.91 Carnosine 0 0 0 0 14793.9 0 0 0 0 19696.91 0 0 0 0 0 0 0 0 0 0 0 13923.69 0 0 0 19972.13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 21999.33 0 16953.29 17948.73 0 0 0 20209.09 0 0 0 0 16813.21 0 0 0 0 19340.71 0 0 0 21635.15 0 0 0 0 18790.6 0 0 0 0 0 0 0 52240.76 0 0 0 0 0 36920.48 0 14341.62 0 0 0 0 Phosphocreatine 5320.35 12238.09 38740.8 15617.76 98065.35 0 46651.97 29606.06 10858.04 11002.67 89896.79 7094.24 5092.94 98464.21 49933.78 13640.87 107160 31052.75 74246.45 85266.9 63381.11 88163.06 42396.5 81963.35 116350.87 138151.61 113955.34 43749.36 17623.7 57407.16 87239.02 76877.91 124210.34 26813.58 12235.11 10718.08 56951.23 91312.95 59687.62 118730.15 97942.38 39407.17 18913.98 17082.24 15744.58 68473.7 25921.17 39895.58 61462.49 69792.14 117002.94 15012.99 29471.66 39189.68 43134.39 51330.22 24080.38 0 47306.21 37404.8 54439.68 34368.83 27868.15 75529.93 12778.88 75004.69 28321.53 15900.75 15825.32 44591.55 109565.78 64789.97 21985.67 59450.29 10679.77 57633.23 93279.81 31534.53 16404.71 24077.38 17582.8 120873.75 34068.81 137896.77 22389.55 11758.25 25230.7 71793.23 49064.97 70051.46 120992.73 53735.57 53151.88 29874.66 N-Succinyl-L-glutamate 5-semialdehyde 359001.25 243118.25 284032.47 352055.09 307236.28 272985.09 381611.84 235718.33 202205.06 327107.03 314577.75 199681.05 270171.34 344932.59 333930.12 310137.78 353361.03 411735.28 265840.34 365798.5 249398.55 311729.06 610114.06 414018.34 397947.09 174662.55 236805.58 157699.69 575505.44 331395.59 245176.92 360413 393640.84 255798.3 343367.03 297187.72 281982.78 545736.81 539705.06 221495.8 320841.75 495255.97 266809.78 145028.75 176396.2 184817.98 354225.66 291602.06 337806.44 304040.62 431484.53 494821.25 476666.34 424208.84 282194.91 167888.64 355322.41 701713.69 389829.34 266522.72 339422.84 268671.09 178464.31 299530.78 462692.25 488037.59 475450.16 551107.94 170992.73 149830.52 205311.67 264681.03 253676.77 409432.84 368755.12 229896.38 287828.19 314166.22 521564.97 396575.72 275214.94 370679.03 389247.59 215102.56 299917.62 488349.5 273104.78 235503.88 246721.75 387113.41 319817.81 209617.7 367668.47 144820.17 Pantothenate 38013.05 88972.98 207617.3 90349.16 67414.76 95681.34 70596.91 150487.39 133576.47 54933.31 135856.77 92541.65 141082.06 169646.56 89192.04 137240.08 122384.69 34938.43 127836.45 192922.25 137946.38 78334.46 310210.59 46304.58 125097.73 142809.48 126281.09 167581.56 166347.56 110144.96 126086.73 144963.83 166214.36 163193.78 123979.88 71349.3 105245.16 120040.25 75746.51 100062.55 84256.89 118888.25 182497.83 63096.95 0 81332.46 175684.08 201831.48 81732.62 230776.31 211157.31 103682.84 95732.06 89611.13 112361.94 123380.94 94638.46 130979.38 182240.55 201280.81 126818.1 144105.64 199972.83 118119.54 140163.83 91029.6 225950.42 130553.62 192322.17 146235.27 111344.63 160467.55 85496.57 69071.02 62289.55 111661.65 66855.4 190017.2 151448.69 183522.98 71224.55 78724.24 44751.99 103519.44 54404.18 86705.77 101371.62 85129.95 113285.88 177986.45 170124.5 184822.75 178680.75 218578.39 D-4--Phosphopantothenate 27200.86 29569.88 0 0 16734.14 54707.67 24823.32 70713.46 7942.75 34509.54 26384.41 85013.52 0 0 20529.29 30437.32 55282.44 27575.35 18227.96 36905.4 0 16663.36 61103.8 31387.81 27253.62 20489.96 24647.32 24060.62 61247.64 0 29342.57 22236.76 33723.47 49052.34 67136.3 46831.89 0 73273.25 0 18587.02 0 17189.78 28732.53 68056.16 57203.32 0 39977.79 45214.25 83722.03 15818 22766.31 0 0 38739.61 55385.67 72670.13 24893.07 26310.77 64078.16 0 24885.38 30512.2 58494.64 35094.29 99049.02 28911.34 64791.12 0 23191.98 14211.7 57282.32 0 39413.17 65211.76 20043.57 47755.47 34904.61 46150.93 20877.13 0 0 51257.7 0 37081.87 21549.37 26992.41 40073.22 28880.17 64211.47 0 38311.07 0 47273.38 0 Pantetheine 4--phosphate 127949.94 76796.18 138933.5 83797.16 86750.6 143428.48 79791.59 104807.04 86740.84 90073.9 117076.77 111835.88 45019.34 53323.83 193866.39 125484.16 91751.56 64684.8 145166.66 96956.94 133458.31 50756.88 31874.84 79183.55 55098.31 27051.6 123033.84 35763.43 73531.88 109439.66 81689.24 44701.7 82729.29 129491.1 112139.62 52168.77 56369.53 56157.19 108905.91 32251.35 74046.41 94367.52 108619.02 105373.77 25968.68 113690.44 0 119555.62 70489.7 70515.58 46286.91 112881.1 34305.11 96720.38 92644.84 64232.68 93474.5 163304.94 98801.77 76260.51 117052.04 120123.07 103429.53 112026.29 165862.34 56432.92 41866.27 57211.92 76885.37 76572.16 101008.88 95290.85 79009.62 68959.55 120949.19 89561.5 87853.84 98897.77 104622.71 63691.19 134526.5 48611.62 75406.46 70345.5 65437.81 114024.77 113619.93 120338.48 50050.05 71612.82 96839.7 65331.94 85819.9 56944.88 3-Sulfino-L-alanine 12351.56 11396.2 29815.3 4197.96 45298.45 34545.32 29797.09 22941.68 3830.92 29239.71 0 7927.69 26876.68 25600.01 0 8711.16 11883.66 34435.59 24072.69 20604.22 32926.91 23888.47 17580.73 10134.56 12985.52 0 16812.17 7225.36 9169.03 6636.3 21183.86 24484.13 16322.67 8246.92 11740.57 9987.83 11116.94 26456.29 9649.23 7128.77 6933.21 23501.59 10682.4 13176.18 45315.48 20069.93 23668 12405.9 18333.27 13715.1 36007.13 22011.96 12053.61 19143.82 7366.97 10656.6 21026.28 34045.58 51801.22 12850.98 23383.58 48595.61 0 26271.34 15995.3 13608.82 21197.29 14313.64 13318.64 29884.81 23972.39 27091.23 21597.05 33166.6 16326.39 9527.05 0 0 19565.13 15692.42 16174.67 23711.22 11698.09 13782 7546.54 12759.05 8429.81 13695.05 7429 10111.59 12512.8 8732.67 22592.04 22434.02 Thiocysteine 23343.16 64834.88 86208.05 58172.86 89944.09 39406.89 46228.22 36587.57 41721.21 50375.71 7948.26 40175.18 50071.12 46040.22 54420.91 45888.39 27488.64 38630.21 67255.96 56167.25 43811.69 41252.54 59279.57 78768.52 64528.83 0 53053.24 67212.98 108398.5 57366.45 71205.24 68844.59 64809.71 37152.04 55187.11 45847.12 61240.25 59157.79 61845.52 44566.93 33656.36 41756.58 67231.43 56711.5 53551.03 59937.97 44971.19 81263.94 46489.77 79093.56 78485.84 43479.07 64765.74 38098.12 52202.67 82784.59 87643.84 62545.62 92701.87 66063.05 64014.67 75195.6 63291.84 54216.3 114230.28 64893.57 95163.54 81546.05 62749.71 54945.52 63343.7 76279.34 49064.41 42130.99 68709.84 87779.91 38165.2 37579.53 54939.07 75268.59 45176.14 67026.7 23669.48 28527.4 53821.64 42248.13 65887.62 65025.57 84784.02 97390.74 81986.59 65200.96 39323.45 55426.62 3-Sulfocatechol 44752.96 0 140259.03 0 66601.16 316268.41 56647.49 420772.09 553157.94 51285.42 760071.31 2463569.25 123763.6 647954.56 199574.27 689852.75 463215.59 16938.65 323283.22 418076.16 118158.18 142001.3 488213.41 461489.09 521318.41 0 140923.14 938122.19 534708.44 1994771.5 205316 597325.75 579529.44 1649090.38 329825.88 200453.92 826866.06 274868.78 221147.88 998892 1233709.62 2636819 1223807.88 541297.69 542427.69 657942 612395 1366966 451804.91 595272.94 855888.44 1259112.62 462134.59 2609364 996400.19 1137706.5 1688077.62 2775485 540066.81 2403118.75 636885.25 1048911.5 454225.47 338192.56 1480051 247109.94 1619614.38 1469223.38 699306.56 970406.25 4048595.25 341560.22 475851.78 2754862.25 494479 4892902.5 3424610 264101.41 1760884.62 6591242.5 672604.44 1244118.38 328007.09 2736778 188717.19 2137169.75 177738.67 1217995.5 160577.55 326280.72 197594.39 1540893.38 1318481.38 204580.98 L-Cysteate 30593.62 13728.59 17432.87 13033.5 19480.49 34484.66 25909.13 31261.98 10195.99 21236.51 18188.79 5472.14 19295.67 17313.1 18292.36 8442.62 23248.27 17775.75 21786.03 23926.24 15428.63 17735.92 25412.02 11133 16672.19 19508.04 27186.32 15725.31 12637.28 17056.13 28859.37 11309.4 19091.12 14925.75 16212.48 14946.03 14408.53 6702.3 17007.46 15781.88 15870.04 67350.84 10553.92 47328.02 28159.86 10345.03 62739.53 15564.28 34058.47 32112.87 26785.6 62520.22 13630.39 49600.6 15961.95 18434.01 14176.55 78083.91 64056 46633.12 25321.09 19387.92 17938.28 17590.75 57485.25 15479.07 27361.4 29287.03 17918.68 17915.96 16744.06 20770.03 19357.68 32998.13 45848.54 26009.62 18087.23 25291.12 13427.18 21069.01 22671.6 15862.86 18684.25 20523.13 14441.44 19889.18 17819.9 20805.21 23494.88 18066.19 13387.32 18794.84 18270.9 43314.4 5-Hydroxyindoleacetate 139308.03 151384.19 136682.2 145110.12 136088.67 188323.95 191866.05 196388.05 145215.42 171424.86 152558.27 156856 180148.95 185341.55 172312.05 153027.33 127960.23 190537.88 159184.55 157708.23 176605.83 170502.31 174757.33 160931.23 151420.02 171952.69 147013.81 138872.92 160724.66 161696.06 203222.7 133349.3 194526.2 157693.56 140642.3 120048.9 171485.17 177750.19 132304.64 131401.12 163381.2 144684.25 156942.92 141293.31 127571.55 206386.2 160465.03 130458.15 161526.2 175141.39 206648.95 148451.59 140734.17 163896.02 151525.64 117032.82 133058.05 193987.44 181857.42 166086.38 101055.96 188941.27 137641.34 141468.62 150201.7 138194.41 185571.02 151456.34 165661.53 131078.38 189764.11 167084.17 148084.77 144684.17 173710.33 179021.95 161030.42 141407.73 167477.83 169265.98 130658.79 140294.36 161815.31 159962.39 148700.25 155715.41 146021.77 110164.23 159946.31 148901.06 143438.38 134382.59 138412.88 183871.05 3-Methyldioxyindole 354281 19044.12 628692.19 27117.97 13921.59 37117.98 51653.89 92071.25 78568.74 29728.56 24565.56 20909.36 36983.26 17089.97 409066.34 564634.81 320844.72 26360.65 14564.8 79513.92 59267.24 790234.19 43274.28 741400.06 16994.54 102832.77 244449.12 79859.79 137903.92 706689.31 241579.88 61724.91 1091726.88 697594.19 652229.69 834371.06 472138.66 74355.09 771488.81 209086.08 1048584.5 846126.5 33864 669892.44 139101.92 39718.46 595954.94 18909.24 51850.93 30079.59 1008724.31 1182246 99038.23 47522.28 120831.43 28427.46 776935 715765 827878.44 21555.97 644988.06 19067.59 29328.28 67711.52 358656.16 1005492.94 1326556 1969437.38 76047.88 2191817.25 29061.39 249778.92 60561.09 49973.25 34047.17 15596.98 62742.91 739643.81 41149.81 15820.78 59300.05 67003.27 25169.53 52819.25 32954.77 40883.03 33449 560237.06 34144.54 29226.34 108967.45 33328.71 129944.5 49671.61 Indole 109237.5 170639.09 178326.89 158150.61 155377.83 99734.15 155849.3 88039.32 88708.47 124884.27 90626.25 78405.69 63871.84 91822.24 136516.23 89497.68 143273.75 147048.42 125416.04 128074.88 108329.34 89115.73 173025.78 118901.4 125651.51 7538.24 101015.88 110597.02 166096.86 160864.48 105095.25 106635.79 158606.09 88087.82 123650.48 83740.12 125050.75 147846.84 74974.27 111865.51 135665.94 153331.95 125653.34 95361.71 89535.05 130654.09 126570.79 145641.11 114800.49 146348.44 115423.38 96190.07 110158.41 127213.69 110906.6 133755.97 116414.65 168371.23 184131 102486.07 123641.22 120629.23 157673.73 133683.45 135041.17 106077.91 158646.5 129739.85 122348.74 100190.12 131500.11 124293.52 121652.6 107408.47 134046.77 92870.82 160027.38 134452.67 87947.5 100773.65 138700.73 190238.8 172213.47 166347.55 140134.33 122984.37 102727.25 113219.01 129594.96 123815.18 156999.73 140728.92 129602.99 132825.31 Indole-3-acetate 1464088.12 4504133.5 4929377.5 649616.69 3301575.25 1848710.62 5757841.5 2802395.75 1468203.12 3804144.25 2855964 1651458.62 1728500.5 2314886 3543140 2638538 3881656.75 3857174 2174619 1651676 1428660.62 1287179 1765776.38 1681405.38 1641333 4939.47 1022857.81 1120753.75 1343255.62 1519175.38 1150077.25 1075151.88 1967815.5 265158.81 327509.75 355292.66 834962.31 1573036 1101168.88 1126192.5 1709979.38 302154.44 266908.22 273274.53 283361.53 217451.12 262989.31 315383.78 282800.47 325245.47 331195.38 246699.64 352590.16 267809.81 200647.31 322659.59 287636.69 342559.28 374752.66 253878.95 302723.06 255325.86 310782.19 333632.22 329388.47 313421.62 274697.03 263888.66 237476.67 237996.33 349715.41 255412.42 306467.66 264871.66 267646.34 225750.25 265911.97 217853.7 256790.67 298258.28 278780.06 526771.81 281090.81 277807.66 301789.5 281403.97 234867.17 2223504.5 2524482.25 2937902 1401129.12 2232284.25 1617472.62 1288322.38 Indolepyruvate 375905.72 725887.75 706677.75 891802.81 715745.81 405265.72 693878.75 474517 271088.28 552408.5 533586.69 397238.53 181512.36 445476.38 644975.94 441442.16 671241.38 958341 548984.81 524947.31 338429.09 210998.83 1100621.5 282865.09 562558.06 2692.39 227052.11 295989.69 1100827.62 381363.41 302514.91 747449.94 715760.25 320256.5 503784.62 152811.14 332516.12 1113212.5 216831.64 327792.62 487265.09 763374.81 720524 470996 399950.59 500128.5 539908.31 832379.19 393855.09 535168.94 704101.69 616821.5 462574.25 1129341.5 688940.94 361644.78 887333 1105189.38 775298.44 491496.91 548267.75 661785.31 715812 450579.59 909052.81 461964.66 887369.5 1059174.88 691075.56 578575.5 666167 902896.31 486504.28 1054378.5 698495.69 437966.25 1335733.75 482338.78 391707.53 473912 523344 1658265.38 831172.69 1463290.38 506963.5 461609.25 555790.56 474159.84 543511.31 720717.06 493202.41 676201.69 707847.75 294595.78 Indoxyl 15295.79 14113.41 5100.06 15386.86 2832.45 6677.54 21795.47 16863.93 19838.78 13449.21 8564.91 46013.77 17458.42 2568.45 17838.19 19888.03 30904.69 50486.18 12959.19 13934.51 12355.86 15083.68 52193 11359.82 7417.79 1716.35 24979.85 8435.73 70909.71 27622.72 11707.84 46643.61 42886.91 24607.83 20362.48 7038.68 21719.13 50764.24 14225.09 15378.26 42494.5 28922.38 7944.09 11246.57 8721.57 21912.39 23158.06 18362.56 25889.62 6992.75 20334.04 24067.93 22291.61 58218.25 43850.64 10512.34 38500.57 39494.79 22254.48 1950.82 23317.88 11757.35 13816.28 14723.76 23202.22 14576.64 31865.49 22552.78 17866.2 18360.72 15096.57 20655.4 21274.95 79451.23 17642.86 7732.15 41516.15 29870.58 30242.63 7747.59 23367.53 18997.36 20629.36 40866.21 34148.32 29811.7 42365.04 9203.57 26695.01 8811.2 29214.27 3576.06 24100.25 18759.57 6-Hydroxykynurenic acid 8925.03 29619.7 16433.18 11716.12 0 5495.39 18477.1 17388.3 9732.36 13793.38 8174.23 9529.48 0 0 8563.05 8355.17 11616.96 9319.89 8755.82 12185.14 4281.43 21953.77 18023.23 12544.68 0 74585.03 11374.38 9253.96 50712.35 0 12258.04 36812.38 17263.63 0 14984.22 8750.11 9039.12 28210.75 0 7695.58 11915.02 8160.03 0 41511.2 11604.07 0 8330.73 3216.81 12463.56 8808.49 8726.93 11245.4 26038.1 10261.76 6026.94 9743.43 21795.48 0 21135.66 0 0 10365.65 12382.05 9977.16 16865.15 3927.26 8437.14 24423.91 9516.91 24096.24 0 15693.75 16833.62 3914.28 11872.42 3503.33 3861.71 17037.9 11287.79 0 4611.26 27987.82 14542.39 10733.77 0 9655.2 14642.68 12632.96 0 18244.88 6546.89 7287.18 0 0 Quinolinic acid 525621.81 569526.5 651164.56 528835.75 494836.66 354645.59 510182.09 705257.75 210469.08 344110.81 608094.75 505546.66 332807.34 694614.94 267318.03 621330.94 329061.91 430366.34 497043.25 251255 247368.52 382144.28 546626.44 316668.34 341319.03 94148.01 260935.69 355366.91 385678.22 359254.47 343011.47 394507.91 413618.91 419628.16 244661.88 222113.45 539769.81 668271.5 177701.5 299464.41 521066.75 456531.09 533511.12 627983.19 528602.94 351319.41 535396.69 412321.34 364685.78 374244 534964.94 557993.56 361560.84 284026.38 639067.5 621242.5 516561.5 419702.12 693533.94 516025.78 355046.53 429175.16 595536.75 334528.09 494072.78 650700.31 744323.06 731543.19 461273.5 629339.25 519150.5 610797 371592.75 388332 284071.53 685051.94 421557.97 566108.94 305857.03 723730.69 414032.59 424687.5 574544.62 485722 315567.06 490739.91 440127.38 576313.06 251384.67 707561.94 507183.41 542342.94 375988.38 547208.81 N-formyl kynurenine 150096.2 55507.49 56687.55 50493.97 134902.7 108825.34 115855.93 90553.38 36627.12 146528.94 151477.64 152050.7 79408.15 126178.23 163357.2 221460.2 220360.83 236423.12 97077.71 170311.7 95225.02 121079.2 146865.11 163591.39 247500 0 176727.77 32432.97 288620 217862.06 177154.55 131330.86 289022.91 120882.15 229171.7 160093.2 184584.5 390280.12 236389.8 256768.94 224678.88 230356.3 88368.52 53675.8 226272.52 183117.05 188466.67 106856.77 216672.77 80933.52 152706.67 281057.78 164379.59 199532 63535.46 31987.01 261707.44 297627.81 217912.69 146342.45 193255.81 96617.84 73853.87 160939.58 161629.92 212631.39 236302.39 128680.38 30320.35 125460.71 138013.56 78459.32 264815.16 112781.27 217192.17 39821.26 197992.92 220116 140077.92 0 201184.69 252395.12 171097.14 214622.12 167730.52 86341.59 50373.93 264079.66 172266.17 86341.34 182533.61 173516.69 274116.22 125745.06 2-Aminomuconate 627942.56 503123.91 510630.09 445750.34 537649.56 726212.81 573145.31 580305.44 577877.38 645847.56 729149.75 735341.44 538026.69 763321.75 635772.19 795728.94 749229.81 610759.38 671590.19 833775 1103149.88 704405.5 1119588.12 929800 585325.44 48557.72 795969.19 760635.44 1837329.12 707060.5 698376.06 1202293.75 1083023.62 677636.81 631937.12 684526.81 679529.94 1584155.62 874612.81 1016865.56 710855 693920.81 730574.31 294219.09 836943.31 833983.19 992536.25 759101.25 680387.12 1081975.38 656832 746552.06 854587.56 802638.75 742830.69 773425.69 955944.5 954201.25 899175.5 969025.5 716707.19 861587.56 680388.56 932738.31 874039.56 738186.31 818926.19 820771.69 952972.19 431968.97 983100.69 794189.31 998932.31 842391.94 1125257.5 801008.56 804709.25 757602.81 612806.5 540300.62 657499.06 668482.06 715400 731033.81 533436 631034.12 412330.03 647008.38 647640 572658.75 1152192.38 805874.75 748554.69 851578.19 Hydroxyindole-acetylglycine 193229.62 184252.11 287091.03 176453.67 284489.75 125145.69 309622.75 359497.16 50236.61 221615.12 183412.98 194374.17 120201.24 70937.03 127708.05 243441.67 130402.93 134861.3 97608.48 216556.95 59331.5 34718.01 63793.12 37402.43 79397.54 60399.47 41661.45 85686.69 63951.18 259493.05 72980.26 52746.88 86305.09 454518.09 93496.06 58957.4 273795.78 209484.88 66236.38 452366.16 300584.88 351138.12 90879.56 313993.16 106621.22 73434.77 467869.59 90900.71 61358.74 131922.31 112700.06 233325.38 50713.8 212288.55 107570.24 47581.62 710205.06 433246.59 157654.81 93485.15 422325.97 109232.1 112707.4 50432.94 574343.19 244634.67 178569.56 373348.47 145572.11 139674.3 84726.84 142450.52 109499.63 145920.86 57284.18 68773.66 139418.12 555644.75 264728.22 97717.56 236936.44 290863.78 369633 186519.55 372040.97 261232.38 290732.25 218831.48 130699.09 217278.92 56046.79 104083.32 92343.79 67665.94 3D-(3-5/4)-Trihydroxycyclohexane-1-2-dione 350970.75 366521.16 570621.69 321385.41 406738.97 390166.5 600841.94 419537.25 555833.69 420698.72 333835.25 544062.06 275390.75 411616.97 387082.62 604361 348333.44 408357.25 503666.75 295092.41 574656.31 426008.03 287481.72 358504.5 616925.44 390135.41 671773.5 353340.59 315589.97 524818 469648.25 432201.34 648204.19 388181 419212.38 471063.84 530518.94 350814.5 655450 337449.31 337539.09 415703.66 406703.25 401582.28 439673.75 477431.78 449549.47 463711.91 357059.09 246496.81 250342.5 446499.41 261990.31 349388.84 447844.03 478979.25 500787.72 384895.72 426813.25 321852.97 308406.28 295856.03 433285.25 306125.16 482239.09 420559.72 463599.66 437062 396789 543286.06 422229.25 373046.5 442515.34 551863.5 238406.73 488319.72 489077.97 441983.28 361891.09 293961.84 462104.28 324598.84 301863.09 427249.75 287180.09 462732.22 468925.16 509576.16 428444.84 408122.5 384479.75 398980.53 445453.28 460221.91 Glycerol 3-phosphate 319260.41 549681.69 560181.25 404698.59 549493.19 396667.12 662334.81 600974.69 336465.47 499689.97 724428.56 305056.34 297427.88 629848.81 552456.06 266657.22 695338.62 520523.09 536070.5 833507.44 414543.84 343021.78 538853.06 469635.62 809158.5 685472.69 400637.66 280336.03 461615.66 512398.09 510321.78 516108.84 691082.19 494185.59 389108.34 282039.34 524173.22 532675.12 385569.84 586308.06 663661.62 454511.62 501305.75 434081.66 341912.91 649950.69 463592.5 562431.06 491045.75 723596.5 692164.69 602055.25 725540.31 462956.59 360306.78 529005.25 385704.75 523241.78 1088590 533121.19 554373.38 599036.94 491447.97 503763.47 524779 806944.75 663735.38 560128.44 492292.91 618941.06 610912.56 541176.5 441569.53 552890.06 725499.81 596797.81 646581.69 609265.19 374321.5 548988.56 341031.34 724405.5 469633.16 624148.19 347863.56 420365.28 421842.22 389131.47 570804 504179.41 491571.25 677444.62 897029.56 407253.09 Phosphoethanolamine 31666.21 31104.45 36041.39 36494.3 10627.05 17955.02 34137.62 29780.97 35018.93 16859.94 112028.2 17249.26 19294.88 45702.64 16168.99 26547.63 35744.04 18822.9 33268.89 44535.67 33685.14 19416.27 47997.62 31438.99 87461.84 18680.66 16472.67 14520.51 27772.73 40556.56 38277.06 35348.21 58088.32 40119.23 23375.36 25557.19 32796.27 26913.91 32122.9 46576.39 43556.66 39199.83 30766.84 35831.33 31208.77 21755.48 19877.83 21303.9 47545.08 79436.19 74103.02 23048.06 112438.21 21822.56 27234.38 31766.83 32471.42 57009.88 39558.91 36920.92 44897.47 25834.43 54561.63 78895.04 33277.02 80248.02 31256.71 35211.33 47259.38 35007.83 27103.7 29009.8 21458.26 79056.35 44948.8 43202.14 41104.22 44962.82 35466.82 63962.61 12242.03 24917.71 18260.58 13693.97 12986.82 19694.96 15369.02 35220.51 21132.14 87289.55 46799.39 96913.34 25356.56 29223.63 N-Methylethanolamine phosphate 578084.31 661706 787527.19 714756.75 617848.19 668078.19 673617.88 709104.81 451290.16 492737.22 572702.19 667919.75 510098.59 682701.31 446783.16 619322.56 515843.5 659805.81 710688.69 443932.12 430859.34 400171.25 583634.06 296955.28 472941.72 33275.95 338466.34 430907.91 626885.75 546695.5 349580.25 667043.06 476892.12 524871.12 419642.91 334263.56 735657.81 655632.56 243618.95 559851.44 519436.34 615184.06 719453.44 836802.56 566116.25 522320.62 492205.34 542688.31 477402.28 573639.81 601929.69 782644.25 516395.38 692285.69 531377.06 579776.94 547727.94 514066.28 695270.56 565547.38 598563.5 549807.44 684865.44 455198.66 535954.81 869387.06 784134.94 675238.06 610791.69 695030 723706.25 745908.69 651255.19 559857.75 403096.22 448465.84 505173.41 649065.62 540647.25 507113.34 465858.41 671404.94 590181.69 468700.88 421422.22 562897.56 511821.91 819217.69 510166.66 667663.75 684126.69 523224.41 471821.91 437252.53 FA(4:0) 2187391.5 2503646 2149544.25 2198709 2325919.75 2717211.75 3534450 2499603.25 1912462 2498557.5 3643882.75 2738130.25 2369726.25 2695809.75 2880623.25 2370076.75 2235097.5 2176812.5 2121983 3691255.25 2010665.38 1986610.38 2899371.25 2589859.75 3143201.75 286962.09 2384157.75 2990479.25 1816038.38 2480401.5 2563939.25 1882493.62 2791100.5 1018373.19 1181192.5 1560091.88 2282419.75 2647854.75 2102760.75 2235924.75 4187960.75 493263.5 388997.41 427767.09 315366.59 523962.5 407457.84 552372.5 437098.38 373274.91 445665.59 303872.03 366493.09 382043.53 371655.59 359877.38 465614.53 599484.69 278319.16 428465.28 402493.84 366508.25 325859.84 321509.03 490651.38 303917 305519.34 437246.5 321369.59 423450.09 430719.28 372273.12 535387.94 439615.59 402990.59 335520.78 429607.28 478186.5 386128 407901.59 349419.31 417206.62 430350.53 313692.41 450831.88 454211.12 427631.97 2875431.25 2560495.75 3282544.75 2207468.75 2069855.88 3609080.75 2249633 FA(5:0) 511097.09 765394 459433.97 617717.75 478277.25 375038.59 429095.62 433598.28 350274.25 346105.47 500181 296086.09 418902.34 315150.84 832629.69 356777.75 702229.5 345244.84 444209.41 478563.91 516714.59 385502.12 412270.59 466320.16 1339866.12 229284.45 449129.16 369890.91 308936.78 363054.75 365756.38 533285.19 1335588.38 472108.75 756826.56 389868.12 405151.62 347202.22 358988.62 428289 545634.19 608846.25 452067.25 415359.78 215700.44 311671.41 490385.62 464834.66 420423.5 500789.78 510460.41 530858.19 369454.16 376507.34 560065.62 423067.12 446981.38 556244.94 207964.05 353473.59 390659.91 385791.03 531463.62 297922.03 373673.5 576581.06 315339.38 533968.12 445080.34 395510.5 422740.25 256149.83 279491.28 344964.03 303416.16 617430.31 330116.16 389526.09 603931.62 527811.56 431310.16 503779.84 449489.84 250937.86 574800.69 557051.62 583245.31 429400 469613.38 492786.91 645736.56 501026.03 711545.81 459773.09 FA(6:0) 692437.06 1008318 619010.19 1937279.38 725759.5 619685.38 626592.19 690774.56 674738.19 1046763.94 755638.5 751640.06 747288.81 682418.19 1088669.88 907196.69 816909.81 630566.88 755109.69 698127.44 638928.19 521779.91 372812.25 558237.31 1004119.5 301861.97 559008.56 565294.94 389562.72 1036826.06 589614.19 598547.06 722856.69 713800.81 928914.75 583099.81 699778.94 361059.59 512013.38 1059679.12 668475.94 640917.25 726672.69 547842.56 626284.94 742846.31 723440.5 614221.5 527902.31 628967.19 476925.66 500811.25 682274.75 560284.31 821097.69 559731.62 762457.19 1252582.12 448372.59 629532.44 668579.31 979067.25 651516.19 785385.25 852543.81 647823.44 453112.75 697653.94 657399.06 513912.78 644122.5 598574.88 755793.5 579589.81 555164.19 646315.19 624914.31 1316753.88 684265.94 722424.06 738543.06 514153.53 1281723.38 562697.69 940528.31 686386.19 1053844.88 706463.44 750953.69 684806.81 585178.5 631690.19 724448.19 498843.53 FA(7:0) 896558.94 759562.06 806052.94 880967 711353.81 710257.06 788370.31 838602.69 821196.25 839105.69 910448.69 839253.81 833340 778823.31 879325.69 864944.81 836131.69 732959.69 845991.5 661654.19 699489.19 776657.44 699681.94 855279.31 878441.69 678666 810507 709851.44 739132.5 928384 833851.19 784720.25 910201.5 771466.69 813309 905282.94 824283.44 797683.81 820985.5 762184.69 910136 806104.25 855765.81 830360.31 754572.5 733503.31 897192.06 862718.5 748682.81 744331.94 711363.81 718095.06 891340.19 816802.56 922294.44 771074.75 899249.31 1043103.31 735188.06 935172.5 850841.56 961851.25 916639.94 859487.75 1120803.38 886334.69 836705.31 974091.75 799323.81 854669 841309.81 852216.69 862515.81 891297 854413.31 807873.56 883621 895145.81 1021889.31 790600.25 836507.31 836708.75 909789.5 806777.25 916809.69 1054822.25 943134.75 929142.5 783287.75 844107.31 824944.94 891189.75 903279.31 720456.5 FA(8:0) 175148624 190761728 177395440 30719034 89245736 99564224 154003392 107225400 73754448 181567408 111698216 83536488 74111624 123165064 134751280 130932376 89597944 109937464 66585376 104208792 541073472 55275764 67040912 125485736 110220544 627801.31 78952184 119284504 84218392 105092840 74697000 68010264 79729448 7263185.5 10802867 18920258 105500408 119619320 83264960 116249824 153018544 4281706.5 5823355.5 4650734.5 2987805.25 3292942.25 3966983 2660118.25 2887526 4378574 3449981.75 4028818 5637288 3720911 4740492.5 3221618.25 4515904.5 5138882.5 3954301.25 3380315.75 2603537.75 4473900 5181798.5 4328665.5 3904792 5707764.5 4223478.5 4021912 3773026 4535483.5 2907520 3970775.75 4134013.25 3664104 3887261.25 3447126.25 3901428 3403646.75 5173663 4273316 3858759 5255668 7017326 4488500 4085544.75 4269854.5 4718058.5 157384656 161958912 195504912 697259968 93181080 96933632 432004896 FA(9:0) 15368569 14220056 12998244 15079136 15265487 16485971 16307973 16427568 14421224 15196684 15541405 14342148 15154696 14583372 17186250 15990720 12363443 14064580 14477388 16038904 16685261 14185641 13632971 12255536 15962429 14420325 15123328 15086083 16812894 14919667 14905377 14152032 15333896 14843693 13675047 13379307 18642846 15125309 15794036 15539069 15084923 13178040 15374968 14936075 14249179 15552663 14424719 14334855 14805089 15342147 14721765 16118392 14260767 15470623 13198096 13147905 15029396 14720655 14328832 24902390 25853538 24504394 26636170 26041520 24208800 25364878 23487096 22894418 22165566 21973134 21691018 22761192 26575806 22166736 21015480 21458654 21242442 22983574 22049216 20670552 24035304 20890034 21325182 21121306 20813928 21389786 23917446 22678074 18964730 20269256 19566602 20399258 21654458 20843510 FA(10:0) 39192292 43515436 42665036 62447968 48615148 51249780 47898096 45981084 51558484 43522868 39873800 39067996 55848012 36565452 45265660 41362180 39227064 49771780 47727964 45371532 57933644 46731440 36207724 36413172 48381088 28971264 43700456 41931744 38331596 56587472 50360036 39415944 54527360 42318736 38401164 35817948 42917276 30903414 43363068 40904900 38122428 52105188 40819088 46251264 41184836 37405400 36869284 36150888 44016756 37574008 47371652 31770574 40637128 37579076 43691952 41815200 52760816 74495680 38042892 39788752 36749972 50356628 41223556 37832196 36823956 38959948 43872116 34028508 47745072 38049424 39858576 30126902 45811644 33917900 54623220 42107668 38373836 50348972 38867320 47664596 41046480 29315752 71348776 38652992 39794756 38594324 49526836 50981996 47067408 39165364 31984800 36037024 41820884 52491724 FA(12:0) 13792339 13447013 24226510 22818246 24349088 21839110 18549662 34707088 44910160 20574016 24607672 18409454 59640972 36175760 16801474 20101380 15239299 17202582 41900728 16764468 37437652 32029824 20437458 23742678 19182376 3180407.25 31573856 23712714 4870678.5 23316266 27107418 18129556 7885950 24050766 16311539 17821390 17144414 4511230.5 27335938 13598080 13426575 23370358 22711928 20701956 13022408 17178880 17688450 10786173 23948754 18608058 20657936 12099795 23388634 16379648 32731306 31829792 15630273 22590550 5852957.5 25835990 18869326 24590490 22837966 26618270 9692469 21083494 11800800 11367227 19854758 17291590 20328046 5718937.5 18994320 12480604 35272484 29519024 6703080 19716400 14473056 34211236 10889731 9391169 11403216 7410614 8933352 17763022 20630778 34308804 19341354 33280992 5359458 27301056 12569575 20203854 FA(14:0) 40469712 51088092 63649452 64931312 53187932 50173312 39578380 44217120 96647296 36125356 59098764 52164224 165622608 70255544 75104568 63517340 36561072 13046205 69925280 64000480 74320432 71083088 45875264 55639284 69366256 6002652.5 72830840 71599376 9834654 60021540 49743284 57420480 13082016 70676040 49291596 44806144 55903476 7960755.5 78820600 39502744 33448170 59550948 69827320 58670516 43873068 50838864 51913264 32239158 68858776 41912232 47210672 48128108 66159052 33551830 61612084 83110848 17950666 18531300 11377424 86682280 59292720 63034020 50945536 68556448 30790440 71553480 28871688 31565454 45556736 63042880 56843436 13939189 48156352 23865310 47531684 81052552 19818648 39428524 50774188 101021208 37664516 25818566 24785846 10537909 27300830 68393152 64302480 70874904 71327784 60218320 10823534 52723696 56556192 62093188 FA(16:0) 228910032 257652944 251895824 278876352 333672416 255760752 294695936 288809312 273490592 197436464 229073536 183267792 398125728 195388784 229218176 236752336 182847728 163872592 202085456 278577856 328311552 216638416 201093568 186490160 231391616 56473564 217757616 232081616 117283112 188618624 248819008 216356080 136614592 220491904 230268080 221242000 196564304 91605016 183134384 166126224 166479904 150055936 230403696 183962448 183569328 139600384 171765584 130576024 205909136 190746928 294476384 163344336 242553728 148018880 206505984 275711136 77004936 93615416 116314536 188251312 186413872 262927824 195389648 253959808 195452544 274682848 204495696 156169264 259180032 224194608 178694032 74772216 173748288 117393896 152456208 219716560 121323944 236932208 196243024 264228528 156830704 125073416 110409960 110450880 118711240 203576464 243889088 234115072 201031472 226052560 75836184 231148096 170261888 301289568 FA(18:0) 240823088 205122288 223930576 242345424 285237536 266361488 222432528 208466048 218858960 194522864 186916656 184919152 253379152 158457424 210203472 196540240 128253432 135080944 171848672 201171264 245102464 215001984 168044304 168140832 189994176 34861628 165999488 162853968 158232048 176093328 188853040 221835264 91651392 190797328 239702528 225324848 190633616 70598888 151928864 163314320 140139472 171573296 176733104 200185648 180823552 134208488 148170800 127680248 178408048 169666816 314698208 175498992 220844368 138565200 179096064 240566336 66295244 76200496 77407176 176332240 166052880 200645296 173383184 208345472 176972912 222319664 187017472 174826128 193471024 231885232 120859616 55112276 136564192 111665960 133464104 215843152 98087192 206971856 201868800 213258896 148951312 120785536 87964024 106247368 140457968 205333008 214128720 200736464 182306880 228991616 53427900 260587008 144379136 271155584 FA(14:1) 8619868 13116311 12975896 18378344 18016258 18384844 22610442 17478182 25721306 5605148.5 9912165 10643946 34413364 10829281 14072091 11491455 2853284 4526032.5 9071562 16670315 29950834 20872874 11969255 13491101 12595681 2269329.5 18424914 14978709 2462447.5 9861031 20460546 10476321 2943075 9643061 11161728 16630792 7032701.5 2003849.38 21032162 6169502.5 5889752 10474692 23782008 9343779 7203662.5 7694314.5 12731077 6609169.5 15122345 12497981 16544764 5512526 23901918 3198978.75 25583018 20241770 1694995.12 2394677 2609848 19828062 14425759 31186432 17519346 22058900 11263867 19023374 10535597 7073001.5 29151040 9582617 10398472 1977907.5 10338312 2255269.75 5711018.5 20787562 1932654.38 8333776.5 12192381 20672870 6049824.5 2719964.25 3209933 2411163.75 5993879.5 13836615 16636713 11591715 9111165 11401552 2166662.75 12221609 6985301.5 28405056 FA(16:1) 57936928 84545480 98333912 119687832 128197928 93764640 110446376 65900660 89331624 38622920 58820576 70269240 142741808 58236524 75760616 70266504 22800952 15162321 48001412 79004160 94497864 84264536 58665492 82920704 59401100 3563162.25 96755736 70919704 5031817 50766212 63458532 55565184 7419660 68117704 70095072 66807860 33228174 4289025.5 79124352 33406542 23703392 45209124 96306440 38114436 64484924 41894492 60250064 21698494 99320648 60931572 59675568 32159514 93222184 11700904 79263000 86783880 4111114 4556868 7301344 111925888 78888304 116060776 63390908 81401816 50664708 68266856 32031218 38037148 79699080 43046492 58982368 9870556 55155884 6680064 25879446 85627712 3620969.25 45297936 71196760 99364536 38961476 6669672 8300209.5 3001408 24118702 67347688 76065992 63957756 78141104 58783956 3174749.75 55047420 39488004 68246712 FA(18:1) 281683872 307260128 279821952 395391904 472055712 361030144 436340480 396953728 310744096 196102160 271317632 257432240 362126048 251979856 315509888 244052240 153138640 172246832 226077440 310510720 278228064 261044544 230842672 218194432 236800016 1727157.12 243290944 205623696 81400104 188952976 319997024 228556672 107544984 268598176 310858752 270799968 167798976 44030288 195798912 162048128 128499808 162912592 261161728 215361104 212368208 154198336 176136128 102649448 290551520 218382448 349050912 191774992 384413344 108529664 315660128 275332992 60928832 52669260 109460224 263978944 218862320 370053408 196456896 315760288 242686640 311146400 289359904 139544176 366300768 237564976 181912848 51455364 239193920 92086104 128984992 319781280 78237976 186854256 252264256 248742608 185451392 82700392 64861620 88200216 116802176 216065872 308943456 202503728 260300848 273596000 39070924 283267232 165015984 377310112 FA(18:2) 113301592 182480080 204195584 199496256 249065920 161538176 219277744 319456160 216252304 132567104 262067072 141393728 342198176 256097360 186547728 126946328 104827192 95224424 219597776 185860080 210585648 258021424 169366080 156195504 192428544 972104.81 215128192 171539344 34948652 113334952 206086064 151443728 61630860 217251584 178957136 203558704 124509832 17783376 187850032 126151816 111416248 103530072 155977488 123438272 116723208 118400296 156244160 59721892 262330192 152751872 209728880 108411112 215028800 80080168 160537520 218962160 34978624 34334188 50410764 205922896 188024768 212532608 132467720 201996592 167821168 144636064 118104888 110726112 184263376 266300096 131184936 29220686 143980704 55149760 123912328 221430144 46289812 169884848 161293488 223617072 123554624 50555296 33180024 46788788 66371860 178546256 204285744 146023600 176735216 240235008 16459659 245508688 102255576 243491504 FA(18:3) 5211266 13126372 9841201 25111318 36062892 13597804 29220570 32483904 25099414 7041181.5 14147892 7228299.5 38944620 16713709 12943173 6674753.5 9006965 5050681.5 13552444 18333620 35680240 24972522 7639446 12794032 14257209 77329.11 17052776 14071848 1742801.62 7326506 27264926 13627287 5457648.5 17765340 16565061 16527524 5825197.5 929609.56 13515345 7079198.5 5673569.5 13045353 11267112 10881564 4878407.5 7141314 12586529 3061408.25 14467836 11064713 26395770 7284048.5 15599153 3883159.25 18230914 17989660 1853988.38 1492798.12 3886993.25 17134524 18960166 21859278 10436592 18358078 16283392 13702619 16373095 7000834.5 15613989 11874927 8279289.5 1377816.12 9671829 2736596 7807698.5 13713771 2406886 7278879.5 11673673 18333158 4165346.75 2512967.25 2086448.5 3865939.25 3105455.25 11594495 12768253 11635005 16248536 14121549 937884 12424341 7994944 27594762 FA(20:4) 33897188 27093992 47420400 33510944 23028822 32299670 16894278 24493520 40277196 21798808 45513812 22975114 60207372 43750560 34075872 32389086 16588285 8426821 44340052 16689669 23584680 39441044 38129360 29669640 21433214 67381.29 24418656 28289306 6823536.5 34096540 14135016 24968270 7048500 31813670 15789881 23861488 27231680 8601207 43721236 17145450 18229208 28430074 28881280 29850648 37538876 9962361 26810246 19282088 24508528 28494146 19055392 46450508 27337554 18674198 31210262 34242900 15635197 20026210 9274865 59168148 41856256 28169290 45274212 20357438 14285228 33935780 10852068 34860228 23745744 36858952 26029110 18239370 16289836 27867010 12539283 40498028 11509233 18472602 28350670 74155272 33658128 21462560 33688548 6186078.5 22215368 49161284 38749900 29121856 22289616 34369004 7164421.5 36784252 18369646 26370934 FA(20:5) 471586.59 785530.81 1160876.5 1117615.62 1704556.62 1258148.38 1422875.12 2764018.25 1622922.38 350545.59 794923.75 545913.62 2961810.25 1223178.5 960965.56 653821.56 360664.5 504385.59 595417.88 779423.69 2850895.75 1885951 9646508 964429.25 636128.06 26744.65 1526168 1169813.38 2775024 496912.72 2050802.12 3990731.25 356883.12 950622.69 896596.75 1143081.38 442793.34 638635.25 1100639.88 448575.53 457409.16 993441.56 1557135.88 1134428.88 604720.81 596637.88 1004748.69 511343.75 1230879.12 1567070.88 2884788.75 987647.69 1607278 515853.97 1592237.5 1506003.12 220531.23 382582.34 826314.19 1055190.12 1465704.5 2542883 1575563.38 1433937.5 1487464.62 1469120.62 1950251.5 1128794.88 2498565.5 1645504.5 755497.81 313584.72 1026126 800764 911159.94 1453723.38 273572.47 685893.31 1463120.12 4610844 455933.16 452168.47 519897.25 373276.62 479476.5 1592459.62 1547503 794816.25 981123.69 1013903.56 261976.44 861486 510567.09 2788555.75 FA(22:6) 4737089.5 5344584 8083481.5 7104145.5 11658888 8412441 9630455 11638837 8979032 2973826.25 6218104 4606008 13006884 7837103.5 8314324 3745454.75 3466889.75 4643294 8192281.5 8461901 16498471 10526454 23161518 9301561 8592702 83785.38 7502118.5 7764714 6764050.5 5087650.5 12930224 14790192 5120547 5950532 9078675 9100237 3846815 5669819.5 7214667.5 4200108 4056224 7141197.5 7885036.5 4884292 4354615.5 5693582 6059953.5 4752854.5 12245455 7133188 20170346 5625896 11884560 5330022.5 13731309 8135861.5 1569025 1990783.38 5097489.5 12644555 8033412 15437296 10675636 10269718 11003995 9297119 13424640 5876472.5 11294219 9066059 6225564 1860575 6148041.5 3844876.75 4451208.5 9505446 1553827.62 5601393.5 7945610.5 14702816 5678497.5 4467208.5 3334416.75 2779626 4624946 8412811 8390837 5198430.5 5982966.5 6265954.5 1746361.12 7266992 6159736 16907386 FA(20:3) 6560284 9371869 15309573 12897679 16288479 12198301 13226937 11312224 10728647 5593924 10186321 7820176.5 22949638 10384476 12136285 8087880.5 5318431.5 7450570.5 11113601 10221703 13552963 8101202 9665139 7468318 10334440 15578.89 7936477.5 9844940 1996179.62 7894756 8048111.5 8196977.5 4495319.5 12378952 9634575 6650984 6422748.5 1779044.5 7818293.5 5081376.5 6110233.5 7771341.5 9831640 7302484.5 7459394.5 4414956.5 7355322.5 4142668.75 8033305.5 9270587 13185129 8108505.5 7872391.5 4950876.5 12091684 13376719 1794642.62 2911150.75 5522893.5 14996163 9215636 16865458 10105494 5665368 9175974 9758957 10956344 7440785.5 14965760 12565596 9312192 3392095.75 3975334.75 4415424.5 3410622 14820720 3273608.75 9775253 7388311.5 17398308 6920844 3878824 4594466 3378296.75 5136159.5 8831077 11271783 7327988.5 12148056 9569693 2162499.75 11608687 7930334.5 19546714 FA(22:5) 1788974.62 2221533.25 4332743.5 2504793.5 3935286.25 2169860.25 1908798 2643453 4909064.5 1383364.25 3992857 2236786 8653943 3645504.75 3739897.25 2022414.62 1083713.38 541993 3549202.75 2934070.75 4413968.5 4612804 8434235 3319134 3045705 0 3810502 4235783 978018.81 2268396.25 1393933.5 6606563.5 665221.69 3401123.75 2590134.5 2996143.25 2058494.88 496089.38 2840678 1663101 1674004.38 2648225.25 3458261.25 2392456.75 1870882.62 1600468.62 2477382.5 1598302.38 3362569.25 2271398.75 3745440.75 2295917.75 3496224 1762178.5 4128287.75 4547147.5 539600.75 751654.69 550985.31 4565523.5 3597802 4305389.5 3535107.25 3863699.25 2151250.75 3874273.25 1601452.12 2891248.25 1934323.5 4110608 2472658.25 553774.19 1977425 1356306.25 1419167.38 4797940.5 721258 2214612 3751838.25 7230704 1992026.38 1583696 835836.75 574052.19 1391208.25 3340643.25 4327401.5 2180984 2547483.25 3795448.25 595796.31 3669573.75 1482202.38 3678840.75 Sphingosine 1-phosphate 2009662.12 1800835 2106831.75 2529774.75 1545103.62 1957375.38 2216424.75 1864987.88 1456007.12 1675149.38 1891927.38 1503996.62 1142950.12 1541985 1699183.38 1590904 1668152 1338943.12 1771059 1763039.38 1487938.12 1459180.38 2093668.62 1062094 1383317.62 453002.47 963077.5 1139220 1362084.62 1604474.38 1464050.5 1401472.12 1780031 1564725.5 1453377.62 1662878.62 1294457 1374447.38 1702817.38 1081102.62 1612829 2058114 1647414.62 1805347.88 1402056 983756.25 1938418.88 1927261.62 1314117.88 1861580.38 1995808.5 1808204.12 2173656 1730708.62 1483478 1681726.62 1325428 2379171 1751856.62 2611010 1732436.12 1820625 1968140.12 1412272.62 1885969.38 1528361.12 1905789.5 1882615.62 1814993.5 1450571 1455109.5 1501100.5 1765221 2129769.25 1764936.62 1980666.62 1082524.38 2039795.38 1496741 2855208.75 1597036.88 2183988 2202353.75 1262127.38 1802545.62 1998652.12 1470604.12 1742975.5 1383125.62 1994122.62 1508573.5 1798705.88 1601304.5 1884951 Sphinganine 1-phosphate 221454.52 257819.2 252087.98 325890.16 245385.42 337987.34 246042.89 328546.28 239774.23 288520.5 256035.88 255065.25 438695.59 261757.62 306036.22 251447.7 267489.28 234889.75 279709.22 268841.41 252587.58 313013.5 309608.84 258642.05 324069.75 73474.91 220432.17 246118.36 245683.11 221677.56 280108.19 303885.66 210793.92 355190.88 243029.12 270480.84 305921.88 205858.62 165983.86 224397.08 203034.95 275741.75 221523.58 219574.17 216317.08 209326.12 224040.05 262689.34 367864.62 278364.28 321333.09 286151.22 251115.39 235370.64 214155.56 221554.02 141715.75 253624.05 296916.66 422360.41 228703.75 348719.91 279792.12 228059.67 263069.47 283672.75 237441.17 236405.17 328347.41 255085.14 224739.67 227814.55 200435.69 238552.55 221239.83 284005 186580.55 291065.28 227909 439684.62 233040.52 207736.23 313456.34 179815.3 228021 292612.03 297287.03 193179.31 295134.88 261632.02 201128.3 211260.14 225399.88 361320.78 3-Phospho-D-glyceroyl phosphate 42417.79 20979.75 26079.83 46038.51 43081.75 17146.87 26901.21 53638.01 34986.11 50973.57 53985.29 28831.47 43650.31 17260.81 47953.9 21923.11 31801.31 25793.41 68441 22598.49 22872.17 26124.37 64076.77 25024.13 48532.6 41304.41 43193.05 35129.35 44148.78 43334.72 24481.48 30873.79 45575.46 22274.21 25297.5 26463.85 47247.28 29966.12 69626.96 28302.72 32663.71 42084.86 65161.25 41227.43 28498.44 43343.99 21959.15 56299.72 46872.58 25036.4 43698.31 37573.61 24801.36 23861.76 62957.48 41617.02 26136.6 42585.6 26192.62 25085.54 85055.3 66629.34 51651.12 69025.71 60317.44 26134.02 21257.17 39644.9 52078.28 46017.99 33668.35 59796.06 24629.61 51394.57 36380.17 50368.73 61486.9 44843.96 28619.77 29735.34 42779.75 31932.39 41256.38 30474.31 28666.23 32018.19 26787.73 65858.32 23182.23 51802.96 46279.78 58921.39 58864.71 41697.24 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name CmpdID Pathway m/z RT Polarity L-aspartate C00049 Amino acids 132.030 0.634 [M-H]- L-cysteine C00097 Amino acids 120.013 0.639 [M-H]- glycine C00037 Amino acids 74.025 0.690 [M-H]- L-histidine C00135 Amino acids 154.062 0.693 [M-H]- L-serine C00065 Amino acids 104.035 0.676 [M-H]- L-threonine C00188 Amino acids 118.051 0.682 [M-H]- L-cystine C00491 Amino acids 239.016 0.659 [M-H]- ATP C00002 Nucleotides 505.980 0.750 [M-H]- dAMP C00360 Nucleotides 330.057 0.702 [M-H]- Adenine C00147 Nucleotides 134.047 0.705 [M-H]- CTP C00063 Nucleotides 481.983 0.755 [M-H]- dCMP C00239 Nucleotides 306.055 0.703 [M-H]- Thymidine C00214 Nucleotides 241.082 0.691 [M-H]- UDP C00015 Nucleotides 403.000 0.775 [M-H]- Uracil C00106 Nucleotides 111.020 0.662 [M-H]- Urate C00366 Nucleotides 167.021 0.678 [M-H]- 5-Hydroxyisourate C11821 Nucleotides 183.016 0.624 [M-H]- (S)(+)-Allantoin C02350 Nucleotides 157.038 0.652 [M-H]- 2',3'-Cyclic CMP C02354 Nucleotides 304.039 0.705 [M-H]- Pyridoxamine 5'-phosphate C00647 Nucleotides 247.045 1.790 [M-H]- UDP-glucose C00029 Nucleotides 565.053 0.743 [M-H]- NAD+ C00003 Nucleotides 662.098 0.709 [M-H]- NADH C00004 Nucleotides 664.120 0.657 [M-H]- Phosphate C00009 Phosphates 96.970 0.635 [M-H]- D-Glucose C00031 Glycolysis 179.056 0.682 [M-H]- D-Hexose-phosphate C02965 Glycolysis 259.023 0.618 [M-H]- D-Fructose 1-6-bisphosphate C00354 Glycolysis 338.993 0.677 [M-H]- D-Glyceraldehyde 3-phosphate/Glycerone phosphate C00118 Glycolysis 168.990 0.654 [M-H]- 1-3-Bisphosphoglycerate C00236 Glycolysis 264.953 0.741 [M-H]- 2/3-Phospho-D-glycerate C00631 Glycolysis 184.986 0.586 [M-H]- Pyruvate C00022 Glycolysis 87.009 0.678 [M-H]- Lactate C01432 Glycolysis 89.024 0.669 [M-H]- Maltose/Sucrose C00208 Other sugars 341.109 0.691 [M-H]- Mannitol/Sorbitol/Glucitol/Iditol C00392 Other sugars 181.072 0.691 [M-H]- Ribose/Ribulose/Arabinose/Xylose/Xylulose C00121 Other sugars 149.045 0.679 [M-H]- D-Rhamnose C01684 Other sugars 163.061 0.700 [M-H]- D-Arabitol/Xylitol/Ribitol C01904 Other sugars 151.061 0.690 [M-H]- Citrate C00158 TCA cycle 191.020 0.608 [M-H]- 2-Oxoglutarate C00026 TCA cycle 145.014 0.607 [M-H]- Succinate C00042 TCA cycle 117.020 0.633 [M-H]- Fumarate C00122 TCA cycle 115.004 0.627 [M-H]- Malate C00149 TCA cycle 133.014 0.606 [M-H]- Oxaloacetate C00036 TCA cycle 130.999 0.613 [M-H]- 2-Hydroxyglutarate C02630 Alternative Carboxylic acids 147.030 0.620 [M-H]- 6-Phospho-D-gluconate C00345 Pentose Phosphate Pathway 275.013 0.692 [M-H]- S-Glutathionyl-L-cysteine C05526 GSH homeostasis 425.081 0.626 [M-H]- Cys-Gly C01419 GSH homeostasis 177.033 0.645 [M-H]- Ascorbate C00072 GSH homeostasis 175.025 0.657 [M-H]- Dehydroascorbate C05422 GSH homeostasis 173.009 0.606 [M-H]- 5-L-Glutamyl-taurine C05844 Gamma-glutamyls 253.049 0.644 [M-H]- Tetrahydrofolate C00101 Folate pool (One carbon metabolism) 444.160 1.814 [M-H]- 10-Formyltetrahydrofolate C00234 Folate pool (One carbon metabolism) 472.166 0.702 [M-H]- Argininosuccinate C03406 Urea cycle 289.116 0.627 [M-H]- N-Acetylneuraminate C00270 Aminosugars 308.099 0.633 [M-H]- N-Glycoloyl-neuraminate C03410 Aminosugars 324.094 1.910 [M-H]- UDP-N-acetyl-D-glucosamine C00043 Aminosugars 606.074 0.692 [M-H]- Glycolate C00160 Aminosugars 75.009 0.729 [M-H]- Homocarnosine C00884 Arginine and proline metabolism 239.115 2.114 [M-H]- Carnosine C00386 Arginine and proline metabolism 225.098 0.704 [M-H]- Phosphocreatine C02305 Arginine and proline metabolism 210.029 0.609 [M-H]- N-Succinyl-L-glutamate 5-semialdehyde C05932 Arginine and proline metabolism 230.065 0.660 [M-H]- Pantothenate C00864 Panthothenate metabolism 218.103 0.701 [M-H]- D-4--Phosphopantothenate C03492 Panthothenate metabolism 298.073 1.941 [M-H]- Pantetheine 4--phosphate C01134 Panthothenate metabolism 357.083 2.298 [M-H]- 3-Sulfino-L-alanine C00606 Sulfur metabolism 152.002 0.631 [M-H]- Thiocysteine C01962 Sulfur metabolism 151.984 0.645 [M-H]- 3-Sulfocatechol C06336 Sulfur metabolism 188.986 0.702 [M-H]- L-Cysteate C00506 Sulfur metabolism 167.997 0.728 [M-H]- 5-Hydroxyindoleacetate C05635 Indole and Tryptophan 190.051 1.993 [M-H]- 3-Methyldioxyindole C05834 Indole and Tryptophan 162.056 1.854 [M-H]- Indole C00463 Indole and Tryptophan 116.051 1.773 [M-H]- Indole-3-acetate C00954 Indole and Tryptophan 174.058 1.779 [M-H]- Indolepyruvate C00331 Indole and Tryptophan 202.051 1.774 [M-H]- Indoxyl C05658 Indole and Tryptophan 132.045 1.796 [M-H]- 6-Hydroxykynurenic acid C08480 Indole and Tryptophan 204.033 0.624 [M-H]- Quinolinic acid C03722 Indole and Tryptophan 166.014 0.682 [M-H]- N-formyl kynurenine C02700 Indole and Tryptophan 235.070 0.705 [M-H]- 2-Aminomuconate C02220 Indole and Tryptophan 156.028 0.688 [M-H]- Hydroxyindole-acetylglycine C05832 Indole and Tryptophan 247.072 1.798 [M-H]- 3D-(3-5/4)-Trihydroxycyclohexane-1-2-dione C04287 Inositol 159.030 0.681 [M-H]- Glycerol 3-phosphate C00093 Glycerophospholipid biosynthesis 171.006 0.633 [M-H]- Phosphoethanolamine C00346 Glycerophospholipid biosynthesis 140.011 0.659 [M-H]- N-Methylethanolamine phosphate C01210 Glycerophospholipid biosynthesis 154.026 0.689 [M-H]- FA(4:0) C00246 Saturated Fatty acids 87.045 0.715 [M-H]- FA(5:0) C00803 Saturated Fatty acids 101.061 0.707 [M-H]- FA(6:0) C01585 Saturated Fatty acids 115.076 1.826 [M-H]- FA(7:0) C17714 Saturated Fatty acids 129.092 1.890 [M-H]- FA(8:0) C06423 Saturated Fatty acids 143.108 1.953 [M-H]- FA(9:0) C01601 Saturated Fatty acids 157.123 2.180 [M-H]- FA(10:0) C01571 Saturated Fatty acids 171.139 2.272 [M-H]- FA(12:0) C02679 Saturated Fatty acids 199.170 2.466 [M-H]- FA(14:0) C06424 Saturated Fatty acids 227.202 2.732 [M-H]- FA(16:0) C00249 Saturated Fatty acids 255.233 3.134 [M-H]- FA(18:0) C01530 Saturated Fatty acids 283.265 3.850 [M-H]- FA(14:1) C08322 Monounsaturated Fatty Acids 225.186 2.513 [M-H]- FA(16:1) C08362 Monounsaturated Fatty Acids 253.217 2.785 [M-H]- FA(18:1) C00712 Monounsaturated Fatty Acids 281.249 3.179 [M-H]- FA(18:2) C01595 Poly-unsaturated Fatty Acids 279.233 2.862 [M-H]- FA(18:3) C06427 Poly-unsaturated Fatty Acids 277.218 2.620 [M-H]- FA(20:4) C00219 Poly-unsaturated Fatty Acids 303.233 2.730 [M-H]- FA(20:5) C06428 Poly-unsaturated Fatty Acids 301.218 2.572 [M-H]- FA(22:6) C06429 Poly-unsaturated Fatty Acids 327.233 2.630 [M-H]- FA(20:3) C03242 Essential fatty acids 305.249 2.916 [M-H]- FA(22:5) C16513 Essential fatty acids 329.249 2.757 [M-H]- Sphingosine 1-phosphate C06124 Sphingolipid biosynthesis 378.242 3.847 [M-H]- Sphinganine 1-phosphate C01120 Sphingolipid biosynthesis 380.256 3.850 [M-H]- 3-Phospho-D-glyceroyl phosphate C00236 Other 264.953 0.741 [M-H]- METABOLITES_END #END