#METABOLOMICS WORKBENCH micaelaroy_20211227_102320 DATATRACK_ID:3007 STUDY_ID:ST002031 ANALYSIS_ID:AN003302 PROJECT_ID:PR001288 VERSION 1 CREATED_ON January 3, 2022, 7:48 am #PROJECT PR:PROJECT_TITLE Irradiation causes alterations of polyamine, purine and sulfur metabolism in red PR:PROJECT_TITLE blood cells and multiple organs PR:PROJECT_SUMMARY Investigating the metabolic effects of radiation is critical to understand the PR:PROJECT_SUMMARY impact of radiotherapy (e.g., for bone marrow irradiation prior to hematopoietic PR:PROJECT_SUMMARY stem cell transplantation in the clinic or in laboratory studies), space travel, PR:PROJECT_SUMMARY and exposure to environmental radiation. In patients undergoing hemopoietic stem PR:PROJECT_SUMMARY cell transplantation, iron overload is a common risk factor for poor outcomes. PR:PROJECT_SUMMARY Previous studies assert that both irradiation and iron independently modulate PR:PROJECT_SUMMARY tryptophan and indole metabolism of the microbiome, which may in turn impact PR:PROJECT_SUMMARY host immune response. However, no studies have interrogated the multi-organ PR:PROJECT_SUMMARY effects of these treatments concurrently. Herein, we use a model that PR:PROJECT_SUMMARY recapitulate transfusional iron overload, a condition often observed in PR:PROJECT_SUMMARY chronically transfused patients with thalassemia, sickle cell disease, or PR:PROJECT_SUMMARY myelodysplastic syndrome. We applied an omics approach to investigate the impact PR:PROJECT_SUMMARY of both iron load and irradiation on the host metabolome. Our results revealed PR:PROJECT_SUMMARY dose-dependent effects of irradiation in red blood cells (RBC), plasma, spleen, PR:PROJECT_SUMMARY and liver energy and redox metabolism. Increases in polyamines and purine PR:PROJECT_SUMMARY salvage metabolites were observed in organs with high oxygen consumption PR:PROJECT_SUMMARY including the heart, kidney, and brain. Irradiation also impacted the metabolism PR:PROJECT_SUMMARY of the duodenum, colon, and stool, suggesting a potential effect on the PR:PROJECT_SUMMARY microbiome. Iron infusion affected the respose to radiation in the organs and PR:PROJECT_SUMMARY blood, especially in RBC polyamine metabolism and spleen antioxidant metabolism, PR:PROJECT_SUMMARY and affected glucose, sulfur (especially methionine and glutathione systems) and PR:PROJECT_SUMMARY tryptophan metabolism in the liver, stool, and brain. Together, the results PR:PROJECT_SUMMARY suggest that radiation impacts metabolism on a multi-organ level with a PR:PROJECT_SUMMARY significant interaction of host iron status. PR:INSTITUTE University of Colorado Anschutz Medical Campus PR:LAST_NAME Roy PR:FIRST_NAME Micaela PR:ADDRESS 13001 E 17th Pl, Aurora PR:EMAIL micaela.roy@cuanschutz.edu PR:PHONE 9259977554 #STUDY ST:STUDY_TITLE Irradiation causes alterations of polyamine, purine and sulfur metabolism in red ST:STUDY_TITLE blood cells and multiple organs (Whole blood) ST:STUDY_SUMMARY Investigating the metabolic effects of radiation is critical to understand the ST:STUDY_SUMMARY impact of radiotherapy (e.g., for bone marrow irradiation prior to hematopoietic ST:STUDY_SUMMARY stem cell transplantation in the clinic or in laboratory studies), space travel, ST:STUDY_SUMMARY and exposure to environmental radiation. In patients undergoing hemopoietic stem ST:STUDY_SUMMARY cell transplantation, iron overload is a common risk factor for poor outcomes. ST:STUDY_SUMMARY Previous studies assert that both irradiation and iron independently modulate ST:STUDY_SUMMARY tryptophan and indole metabolism of the microbiome, which may in turn impact ST:STUDY_SUMMARY host immune response. However, no studies have interrogated the multi-organ ST:STUDY_SUMMARY effects of these treatments concurrently. Herein, we use a model that ST:STUDY_SUMMARY recapitulate transfusional iron overload, a condition often observed in ST:STUDY_SUMMARY chronically transfused patients with thalassemia, sickle cell disease, or ST:STUDY_SUMMARY myelodysplastic syndrome. We applied an omics approach to investigate the impact ST:STUDY_SUMMARY of both iron load and irradiation on the host metabolome. Our results revealed ST:STUDY_SUMMARY dose-dependent effects of irradiation in red blood cells (RBC), plasma, spleen, ST:STUDY_SUMMARY and liver energy and redox metabolism. Increases in polyamines and purine ST:STUDY_SUMMARY salvage metabolites were observed in organs with high oxygen consumption ST:STUDY_SUMMARY including the heart, kidney, and brain. Irradiation also impacted the metabolism ST:STUDY_SUMMARY of the duodenum, colon, and stool, suggesting a potential effect on the ST:STUDY_SUMMARY microbiome. Iron infusion affected the respose to radiation in the organs and ST:STUDY_SUMMARY blood, especially in RBC polyamine metabolism and spleen antioxidant metabolism, ST:STUDY_SUMMARY and affected glucose, sulfur (especially methionine and glutathione systems) and ST:STUDY_SUMMARY tryptophan metabolism in the liver, stool, and brain. Together, the results ST:STUDY_SUMMARY suggest that radiation impacts metabolism on a multi-organ level with a ST:STUDY_SUMMARY significant interaction of host iron status. ST:INSTITUTE University of Colorado Anschutz Medical Campus ST:LAST_NAME Roy ST:FIRST_NAME Micaela ST:ADDRESS 13001 E 17th Pl, Aurora, CO 80045 ST:EMAIL micaela.roy@cuanschutz.edu ST:PHONE 303-724-3339 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #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 - 1 Treatment:Saline | Radiation Dose:no irradiated RAW_FILE_NAME=AM4-1 SUBJECT_SAMPLE_FACTORS - 2 Treatment:Saline | Radiation Dose:no irradiated RAW_FILE_NAME=AM4-2 SUBJECT_SAMPLE_FACTORS - 3 Treatment:Saline | Radiation Dose:no irradiated RAW_FILE_NAME=AM4-3 SUBJECT_SAMPLE_FACTORS - 4 Treatment:Saline | Radiation Dose:no irradiated RAW_FILE_NAME=AM4-4 SUBJECT_SAMPLE_FACTORS - 6 Treatment:IV iron | Radiation Dose:no irradiated RAW_FILE_NAME=AM4-5 SUBJECT_SAMPLE_FACTORS - 7 Treatment:IV iron | Radiation Dose:no irradiated RAW_FILE_NAME=AM4-6 SUBJECT_SAMPLE_FACTORS - 8 Treatment:IV iron | Radiation Dose:no irradiated RAW_FILE_NAME=AM4-7 SUBJECT_SAMPLE_FACTORS - 9 Treatment:IV iron | Radiation Dose:no irradiated RAW_FILE_NAME=AM4-8 SUBJECT_SAMPLE_FACTORS - 10 Treatment:IV iron | Radiation Dose:no irradiated RAW_FILE_NAME=AM4-9 SUBJECT_SAMPLE_FACTORS - 11 Treatment:Saline | Radiation Dose:Gy7 RAW_FILE_NAME=AM4-10 SUBJECT_SAMPLE_FACTORS - 13 Treatment:Saline | Radiation Dose:Gy7 RAW_FILE_NAME=AM4-11 SUBJECT_SAMPLE_FACTORS - 14 Treatment:Saline | Radiation Dose:Gy7 RAW_FILE_NAME=AM4-12 SUBJECT_SAMPLE_FACTORS - 15 Treatment:Saline | Radiation Dose:Gy7 RAW_FILE_NAME=AM4-13 SUBJECT_SAMPLE_FACTORS - 16 Treatment:IV iron | Radiation Dose:Gy7 RAW_FILE_NAME=AM4-14 SUBJECT_SAMPLE_FACTORS - 17 Treatment:IV iron | Radiation Dose:Gy7 RAW_FILE_NAME=AM4-15 SUBJECT_SAMPLE_FACTORS - 18 Treatment:IV iron | Radiation Dose:Gy7 RAW_FILE_NAME=AM4-16 SUBJECT_SAMPLE_FACTORS - 19 Treatment:IV iron | Radiation Dose:Gy7 RAW_FILE_NAME=AM4-17 SUBJECT_SAMPLE_FACTORS - 20 Treatment:IV iron | Radiation Dose:Gy7 RAW_FILE_NAME=AM4-18 SUBJECT_SAMPLE_FACTORS - 21 Treatment:Saline | Radiation Dose:Gy8 RAW_FILE_NAME=AM4-19 SUBJECT_SAMPLE_FACTORS - 22 Treatment:Saline | Radiation Dose:Gy8 RAW_FILE_NAME=AM4-20 SUBJECT_SAMPLE_FACTORS - 23 Treatment:Saline | Radiation Dose:Gy8 RAW_FILE_NAME=AM4-21 SUBJECT_SAMPLE_FACTORS - 24 Treatment:Saline | Radiation Dose:Gy8 RAW_FILE_NAME=AM4-22 SUBJECT_SAMPLE_FACTORS - 25 Treatment:Saline | Radiation Dose:Gy8 RAW_FILE_NAME=AM4-23 SUBJECT_SAMPLE_FACTORS - 26 Treatment:IV iron | Radiation Dose:Gy8 RAW_FILE_NAME=AM4-24 SUBJECT_SAMPLE_FACTORS - 27 Treatment:IV iron | Radiation Dose:Gy8 RAW_FILE_NAME=AM4-25 SUBJECT_SAMPLE_FACTORS - 28 Treatment:IV iron | Radiation Dose:Gy8 RAW_FILE_NAME=AM4-26 SUBJECT_SAMPLE_FACTORS - 29 Treatment:IV iron | Radiation Dose:Gy8 RAW_FILE_NAME=AM4-27 SUBJECT_SAMPLE_FACTORS - 30 Treatment:IV iron | Radiation Dose:Gy8 RAW_FILE_NAME=AM4-28 SUBJECT_SAMPLE_FACTORS - 31 Treatment:Saline | Radiation Dose:Gy9 RAW_FILE_NAME=AM4-29 SUBJECT_SAMPLE_FACTORS - 32 Treatment:Saline | Radiation Dose:Gy9 RAW_FILE_NAME=AM4-30 SUBJECT_SAMPLE_FACTORS - 33 Treatment:Saline | Radiation Dose:Gy9 RAW_FILE_NAME=AM4-31 SUBJECT_SAMPLE_FACTORS - 34 Treatment:Saline | Radiation Dose:Gy9 RAW_FILE_NAME=AM4-32 SUBJECT_SAMPLE_FACTORS - 35 Treatment:Saline | Radiation Dose:Gy9 RAW_FILE_NAME=AM4-33 SUBJECT_SAMPLE_FACTORS - 36 Treatment:IV iron | Radiation Dose:Gy9 RAW_FILE_NAME=AM4-34 SUBJECT_SAMPLE_FACTORS - 37 Treatment:IV iron | Radiation Dose:Gy9 RAW_FILE_NAME=AM4-35 SUBJECT_SAMPLE_FACTORS - 38 Treatment:IV iron | Radiation Dose:Gy9 RAW_FILE_NAME=AM4-36 SUBJECT_SAMPLE_FACTORS - 39 Treatment:IV iron | Radiation Dose:Gy9 RAW_FILE_NAME=AM4-37 SUBJECT_SAMPLE_FACTORS - 40 Treatment:IV iron | Radiation Dose:Gy9 RAW_FILE_NAME=AM4-38 SUBJECT_SAMPLE_FACTORS - 41 Treatment:Saline | Radiation Dose:Gy10 RAW_FILE_NAME=AM4-39 SUBJECT_SAMPLE_FACTORS - 42 Treatment:Saline | Radiation Dose:Gy10 RAW_FILE_NAME=AM4-40 SUBJECT_SAMPLE_FACTORS - 43 Treatment:Saline | Radiation Dose:Gy10 RAW_FILE_NAME=AM4-41 SUBJECT_SAMPLE_FACTORS - 44 Treatment:Saline | Radiation Dose:Gy10 RAW_FILE_NAME=AM4-42 SUBJECT_SAMPLE_FACTORS - 45 Treatment:Saline | Radiation Dose:Gy10 RAW_FILE_NAME=AM4-43 SUBJECT_SAMPLE_FACTORS - 46 Treatment:IV iron | Radiation Dose:Gy10 RAW_FILE_NAME=AM4-44 SUBJECT_SAMPLE_FACTORS - 47 Treatment:IV iron | Radiation Dose:Gy10 RAW_FILE_NAME=AM4-45 SUBJECT_SAMPLE_FACTORS - 48 Treatment:IV iron | Radiation Dose:Gy10 RAW_FILE_NAME=AM4-46 SUBJECT_SAMPLE_FACTORS - 49 Treatment:IV iron | Radiation Dose:Gy10 RAW_FILE_NAME=AM4-47 SUBJECT_SAMPLE_FACTORS - 50 Treatment:IV iron | Radiation Dose:Gy10 RAW_FILE_NAME=AM4-48 SUBJECT_SAMPLE_FACTORS - 51 Treatment:Saline | Radiation Dose:Gy11 RAW_FILE_NAME=AM4-49 SUBJECT_SAMPLE_FACTORS - 52 Treatment:Saline | Radiation Dose:Gy11 RAW_FILE_NAME=AM4-50 SUBJECT_SAMPLE_FACTORS - 53 Treatment:Saline | Radiation Dose:Gy11 RAW_FILE_NAME=AM4-51 SUBJECT_SAMPLE_FACTORS - 54 Treatment:Saline | Radiation Dose:Gy11 RAW_FILE_NAME=AM4-52 SUBJECT_SAMPLE_FACTORS - 55 Treatment:Saline | Radiation Dose:Gy11 RAW_FILE_NAME=AM4-53 SUBJECT_SAMPLE_FACTORS - 56 Treatment:IV iron | Radiation Dose:Gy11 RAW_FILE_NAME=AM4-54 SUBJECT_SAMPLE_FACTORS - 57 Treatment:IV iron | Radiation Dose:Gy11 RAW_FILE_NAME=AM4-55 SUBJECT_SAMPLE_FACTORS - 58 Treatment:IV iron | Radiation Dose:Gy11 RAW_FILE_NAME=AM4-56 SUBJECT_SAMPLE_FACTORS - 59 Treatment:IV iron | Radiation Dose:Gy11 RAW_FILE_NAME=AM4-57 SUBJECT_SAMPLE_FACTORS - 60 Treatment:IV iron | Radiation Dose:Gy11 RAW_FILE_NAME=AM4-58 #COLLECTION CO:COLLECTION_SUMMARY At day +4 post irradiation, mice were euthanized and blood was collected by CO:COLLECTION_SUMMARY cardiac puncture in heparinized syringe CO:SAMPLE_TYPE Blood (whole) #TREATMENT TR:TREATMENT_SUMMARY After one week of acclimatization in a pathogen-free facility, cohorts of mice TR:TREATMENT_SUMMARY were retro-orbitally infused with phosphate buffer saline (PBS) or 12.5 mg of TR:TREATMENT_SUMMARY iron dextran (Henry Shein Animal Health, Dublin, OH), twice a week for 2 weeks TR:TREATMENT_SUMMARY for a total of 50 mg of iron. After 2 days of rest, mice were then divided in TR:TREATMENT_SUMMARY groups and irradiated with 7, 8, 9, 10, 11 Gy of C-137 (n=5 per group). Total TR:TREATMENT_SUMMARY dose was split in 2 doses 3 hours apart. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY A volume of 50μl of RBC aliquots was extracted in either 450μl, respectively SP:SAMPLEPREP_SUMMARY of methanol:acetonitrile:water (5:3:2, v/v/v).29 After vortexing at 4°C for 30 SP:SAMPLEPREP_SUMMARY min, extracts were separated from the protein pellet by centrifugation for 10 SP:SAMPLEPREP_SUMMARY min at 10,000g at 4°C and stored at −80°C until analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Phenomenex Kinetex C18 (150 x 2.1mm, 2.6 um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS Samples (10uL injection for cells, 20uL injection for SUPs) were introduced to MS:MS_COMMENTS the MS via electrospray ionization with the MS scanning in full MS mode (2 MS:MS_COMMENTS µscans) and ddMS2 (top15) over the range of 65-950 m/z. Technical replicates MS:MS_COMMENTS were injected every six to twelve samples to ensure instrument stability (Nemkov MS:MS_COMMENTS et al., 2019). Metabolites were manually selected integrated with Maven MS:MS_COMMENTS (Princeton University) in conjunction with the KEGG database. Peak quality was MS:MS_COMMENTS determined using blanks, technical mixes, and 13C abundance. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area top MS_METABOLITE_DATA_START Samples 1 2 3 4 6 7 8 9 10 11 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 Factors Treatment:Saline | Radiation Dose:no irradiated Treatment:Saline | Radiation Dose:no irradiated Treatment:Saline | Radiation Dose:no irradiated Treatment:Saline | Radiation Dose:no irradiated Treatment:IV iron | Radiation Dose:no irradiated Treatment:IV iron | Radiation Dose:no irradiated Treatment:IV iron | Radiation Dose:no irradiated Treatment:IV iron | Radiation Dose:no irradiated Treatment:IV iron | Radiation Dose:no irradiated Treatment:Saline | Radiation Dose:Gy7 Treatment:Saline | Radiation Dose:Gy7 Treatment:Saline | Radiation Dose:Gy7 Treatment:Saline | Radiation Dose:Gy7 Treatment:IV iron | Radiation Dose:Gy7 Treatment:IV iron | Radiation Dose:Gy7 Treatment:IV iron | Radiation Dose:Gy7 Treatment:IV iron | Radiation Dose:Gy7 Treatment:IV iron | Radiation Dose:Gy7 Treatment:Saline | Radiation Dose:Gy8 Treatment:Saline | Radiation Dose:Gy8 Treatment:Saline | Radiation Dose:Gy8 Treatment:Saline | Radiation Dose:Gy8 Treatment:Saline | Radiation Dose:Gy8 Treatment:IV iron | Radiation Dose:Gy8 Treatment:IV iron | Radiation Dose:Gy8 Treatment:IV iron | Radiation Dose:Gy8 Treatment:IV iron | Radiation Dose:Gy8 Treatment:IV iron | Radiation Dose:Gy8 Treatment:Saline | Radiation Dose:Gy9 Treatment:Saline | Radiation Dose:Gy9 Treatment:Saline | Radiation Dose:Gy9 Treatment:Saline | Radiation Dose:Gy9 Treatment:Saline | Radiation Dose:Gy9 Treatment:IV iron | Radiation Dose:Gy9 Treatment:IV iron | Radiation Dose:Gy9 Treatment:IV iron | Radiation Dose:Gy9 Treatment:IV iron | Radiation Dose:Gy9 Treatment:IV iron | Radiation Dose:Gy9 Treatment:Saline | Radiation Dose:Gy10 Treatment:Saline | Radiation Dose:Gy10 Treatment:Saline | Radiation Dose:Gy10 Treatment:Saline | Radiation Dose:Gy10 Treatment:Saline | Radiation Dose:Gy10 Treatment:IV iron | Radiation Dose:Gy10 Treatment:IV iron | Radiation Dose:Gy10 Treatment:IV iron | Radiation Dose:Gy10 Treatment:IV iron | Radiation Dose:Gy10 Treatment:IV iron | Radiation Dose:Gy10 Treatment:Saline | Radiation Dose:Gy11 Treatment:Saline | Radiation Dose:Gy11 Treatment:Saline | Radiation Dose:Gy11 Treatment:Saline | Radiation Dose:Gy11 Treatment:Saline | Radiation Dose:Gy11 Treatment:IV iron | Radiation Dose:Gy11 Treatment:IV iron | Radiation Dose:Gy11 Treatment:IV iron | Radiation Dose:Gy11 Treatment:IV iron | Radiation Dose:Gy11 Treatment:IV iron | Radiation Dose:Gy11 ATP 2.66E+06 1.66E+06 3.14E+06 1.81E+06 2.78E+06 2.27E+06 1.29E+06 1.88E+06 2.27E+06 1.34E+06 3.23E+06 1.89E+06 2.93E+05 1.38E+06 3.00E+06 8.88E+05 2.51E+06 1.57E+06 1.70E+06 3.15E+06 1.53E+06 1.54E+06 4.24E+06 1.33E+06 2.91E+06 3.72E+06 2.54E+06 3.39E+06 1.10E+06 6.72E+05 1.28E+06 4.39E+06 2.13E+06 9.65E+05 1.89E+06 2.01E+06 1.09E+06 2.36E+06 1.16E+06 9.77E+05 2.49E+06 1.97E+06 1.95E+06 1.49E+06 2.01E+06 1.64E+06 3.38E+06 2.96E+06 1.80E+06 1.26E+06 1.97E+06 2.45E+06 2.95E+06 1.87E+06 2.27E+06 3.44E+06 4.29E+06 1.65E+06 ADP 2.08E+06 1.92E+06 2.07E+06 2.21E+06 1.90E+06 1.78E+06 1.46E+06 1.55E+06 1.96E+06 1.01E+06 2.22E+06 1.25E+06 3.73E+05 1.11E+06 1.79E+06 1.48E+06 2.08E+06 1.70E+06 1.07E+06 1.99E+06 7.94E+05 1.49E+06 2.21E+06 1.44E+06 1.96E+06 2.54E+06 1.36E+06 2.62E+06 7.08E+05 6.50E+05 7.26E+05 2.46E+06 1.32E+06 7.07E+05 1.20E+06 1.66E+06 8.14E+05 1.40E+06 9.88E+05 9.50E+05 1.71E+06 1.29E+06 1.78E+06 1.07E+06 1.41E+06 1.45E+06 2.23E+06 2.25E+06 1.34E+06 1.06E+06 1.34E+06 1.62E+06 1.63E+06 1.66E+06 1.65E+06 2.16E+06 2.29E+06 1.57E+06 AMP 2.32E+06 2.78E+06 2.74E+06 3.25E+06 3.88E+06 2.56E+06 2.88E+06 3.71E+06 3.97E+06 4.48E+06 3.48E+06 4.38E+06 2.45E+06 4.29E+06 4.25E+06 2.45E+06 4.77E+06 3.45E+06 4.89E+06 4.09E+06 8.04E+06 5.06E+06 4.14E+06 2.69E+06 5.05E+06 4.80E+06 7.55E+06 5.16E+06 4.43E+06 2.13E+06 3.92E+06 4.18E+06 3.94E+06 4.44E+06 2.96E+06 4.58E+06 4.15E+06 4.55E+06 4.04E+06 2.05E+06 5.06E+06 3.71E+06 3.16E+06 2.74E+06 5.20E+06 3.47E+06 4.59E+06 5.17E+06 4.72E+06 3.26E+06 3.58E+06 4.47E+06 5.55E+06 4.22E+06 5.12E+06 4.77E+06 4.70E+06 4.46E+06 dAMP 8.41E+03 9.89E+03 3.27E+04 1.29E+04 1.40E+04 3.47E+03 8.13E+03 9.44E+03 6.70E+03 2.14E+04 3.29E+04 1.69E+04 9.41E+03 1.41E+04 9.04E+03 6.68E+03 1.81E+04 3.42E+03 1.20E+04 2.90E+04 3.92E+04 1.23E+04 2.72E+04 1.64E+04 2.99E+04 2.44E+04 2.06E+04 4.43E+04 3.89E+04 2.29E+04 1.85E+04 1.94E+04 1.49E+04 1.74E+04 0.00E+00 3.33E+04 0.00E+00 6.62E+03 2.39E+04 1.44E+04 2.70E+04 3.29E+04 2.49E+04 2.27E+04 8.74E+03 1.94E+04 2.29E+04 5.04E+04 3.19E+04 1.91E+04 8.22E+03 1.46E+04 3.68E+04 7.21E+03 3.10E+04 0.00E+00 1.56E+03 4.17E+03 Adenine 1.79E+05 1.81E+05 2.12E+05 2.35E+05 1.71E+05 1.73E+05 3.85E+05 2.42E+05 1.86E+05 1.57E+05 2.49E+05 1.63E+05 1.68E+05 2.18E+05 1.79E+05 1.58E+05 2.51E+05 1.96E+05 1.66E+05 3.12E+05 2.19E+05 2.50E+05 3.34E+05 1.98E+05 2.23E+05 3.74E+05 2.41E+05 1.88E+05 1.87E+05 2.71E+05 1.75E+05 2.09E+05 2.44E+05 1.48E+05 2.35E+05 1.73E+05 1.72E+05 3.02E+05 2.63E+05 3.55E+05 2.08E+05 2.66E+05 3.05E+05 1.52E+05 2.32E+05 2.04E+05 2.23E+05 3.46E+05 2.23E+05 1.94E+05 1.79E+05 1.98E+05 2.81E+05 1.68E+05 2.26E+05 2.19E+05 2.78E+05 2.19E+05 GTP 2.18E+05 1.49E+05 1.80E+05 1.65E+05 2.00E+05 1.48E+05 1.24E+05 1.35E+05 1.82E+05 1.39E+05 2.20E+05 1.51E+05 4.40E+04 1.04E+05 1.99E+05 8.68E+04 2.34E+05 1.25E+05 1.74E+05 2.50E+05 1.90E+05 1.54E+05 2.62E+05 1.47E+05 1.96E+05 2.39E+05 1.72E+05 2.11E+05 1.27E+05 7.38E+04 1.32E+05 2.71E+05 2.19E+05 1.11E+05 1.34E+05 1.13E+05 1.02E+05 1.46E+05 1.38E+05 9.32E+04 2.05E+05 1.23E+05 1.24E+05 1.12E+05 1.90E+05 9.83E+04 2.11E+05 1.34E+05 1.90E+05 1.19E+05 1.15E+05 1.61E+05 2.29E+05 1.61E+05 1.97E+05 2.12E+05 2.32E+05 9.97E+04 GDP 6.67E+05 7.09E+05 5.94E+05 6.56E+05 8.64E+05 5.63E+05 5.35E+05 7.08E+05 7.36E+05 9.59E+05 8.58E+05 8.21E+05 2.55E+05 9.69E+05 8.94E+05 3.31E+05 9.33E+05 5.23E+05 8.87E+05 8.54E+05 1.14E+06 8.18E+05 8.60E+05 5.61E+05 9.61E+05 9.00E+05 9.15E+05 8.18E+05 8.81E+05 5.78E+05 6.98E+05 1.11E+06 8.27E+05 5.61E+05 4.56E+05 5.25E+05 6.70E+05 8.12E+05 8.95E+05 3.47E+05 8.41E+05 6.12E+05 5.35E+05 3.76E+05 7.97E+05 5.65E+05 9.86E+05 7.14E+05 1.00E+06 6.03E+05 5.97E+05 7.27E+05 9.72E+05 6.25E+05 8.99E+05 7.19E+05 7.66E+05 4.51E+05 GMP 2.64E+05 2.93E+05 2.37E+05 2.08E+05 3.35E+05 3.41E+05 2.10E+05 3.33E+05 3.99E+05 4.28E+05 2.88E+05 3.28E+05 3.46E+05 3.04E+05 2.87E+05 7.16E+05 2.76E+05 2.98E+05 3.84E+05 2.96E+05 4.72E+05 3.32E+05 2.49E+05 4.11E+05 2.88E+05 3.14E+05 3.87E+05 2.48E+05 3.84E+05 2.47E+05 2.34E+05 1.72E+05 2.07E+05 4.61E+05 4.73E+05 2.94E+05 4.59E+05 3.20E+05 4.03E+05 3.16E+05 2.91E+05 2.62E+05 1.09E+05 2.12E+05 3.36E+05 1.96E+05 3.07E+05 2.10E+05 3.40E+05 1.79E+05 2.53E+05 1.86E+05 1.85E+05 3.10E+05 2.83E+05 2.33E+05 2.76E+05 3.46E+05 CMP 4.00E+05 4.17E+05 6.12E+05 1.81E+05 2.61E+05 3.48E+05 1.98E+05 2.13E+05 2.78E+05 5.71E+05 1.04E+06 5.42E+05 9.68E+04 9.90E+04 3.04E+05 6.67E+04 6.06E+05 1.37E+05 1.39E+05 2.65E+05 1.46E+05 2.47E+05 2.55E+05 1.02E+05 1.48E+05 1.44E+05 2.72E+05 2.07E+05 5.44E+05 3.20E+05 7.20E+05 6.05E+05 7.80E+05 2.02E+05 5.26E+03 8.42E+05 1.88E+05 5.25E+05 8.69E+05 2.77E+05 4.82E+05 6.17E+05 3.04E+05 4.79E+05 3.32E+05 1.38E+05 2.58E+05 2.64E+05 3.15E+05 1.71E+05 9.68E+04 2.92E+05 1.95E+05 2.12E+05 1.16E+05 2.41E+04 5.18E+04 7.64E+03 Thymidine 1.21E+05 1.54E+05 1.70E+05 1.40E+05 1.58E+05 1.71E+05 9.57E+04 1.27E+05 1.28E+05 1.44E+05 1.29E+05 1.46E+05 4.35E+04 1.40E+05 1.45E+05 1.03E+05 1.32E+05 1.65E+05 1.41E+05 1.58E+05 1.09E+05 1.31E+05 1.47E+05 9.60E+04 1.08E+05 1.57E+05 1.20E+05 9.88E+04 1.27E+05 9.30E+04 1.33E+05 1.23E+05 8.40E+04 1.47E+05 9.13E+04 1.14E+05 1.69E+05 1.29E+05 1.40E+05 1.24E+05 1.14E+05 1.26E+05 1.88E+05 1.08E+05 1.65E+05 1.61E+05 1.41E+05 1.52E+05 1.25E+05 1.02E+05 8.76E+04 1.34E+05 1.00E+05 1.18E+05 1.37E+05 1.07E+05 9.83E+04 3.66E+04 UTP 7.35E+04 4.45E+04 4.14E+04 3.92E+04 5.12E+04 5.80E+04 1.25E+04 4.10E+04 6.12E+04 1.02E+04 5.55E+04 2.91E+04 4.01E+03 2.01E+04 4.81E+04 2.00E+04 4.59E+04 2.35E+04 2.73E+04 2.24E+04 1.50E+04 4.07E+04 2.00E+04 1.83E+04 1.87E+04 4.70E+04 2.63E+04 2.39E+04 9.36E+03 1.09E+04 2.20E+04 1.44E+04 7.11E+03 1.92E+03 2.06E+04 1.83E+04 6.48E+03 1.76E+04 1.74E+04 2.41E+04 1.08E+04 1.77E+04 1.27E+04 1.30E+04 1.78E+04 1.31E+04 8.21E+03 2.50E+04 2.91E+04 1.08E+04 1.69E+04 1.30E+04 1.06E+04 2.28E+04 2.85E+04 1.81E+04 1.41E+04 2.05E+04 UMP 3.83E+04 4.24E+04 2.92E+04 2.41E+04 3.88E+04 3.16E+04 5.89E+04 5.94E+04 3.45E+04 3.24E+04 2.20E+04 1.35E+04 4.52E+04 2.85E+04 2.77E+04 1.00E+05 1.56E+04 4.85E+04 3.02E+04 4.12E+04 4.26E+04 3.52E+04 1.32E+04 2.83E+04 2.00E+04 1.26E+04 1.93E+04 9.92E+03 4.16E+04 1.98E+04 1.41E+04 0.00E+00 6.22E+03 1.39E+04 1.92E+04 2.60E+04 2.38E+04 7.29E+03 3.51E+04 3.97E+04 1.33E+04 1.00E+04 2.14E+04 1.49E+04 1.35E+04 1.82E+04 6.25E+03 1.29E+04 2.96E+04 3.01E+04 1.71E+04 2.11E+04 0.00E+00 4.18E+04 8.32E+03 5.36E+03 7.82E+03 3.60E+04 Uracil 1.49E+05 1.53E+05 8.52E+04 6.58E+04 1.47E+05 6.43E+04 6.18E+04 7.30E+04 6.93E+04 1.31E+05 1.25E+05 1.27E+05 5.01E+04 1.28E+05 8.91E+04 5.85E+04 7.98E+04 6.53E+04 1.56E+05 1.48E+05 8.83E+04 6.60E+04 5.68E+04 1.04E+05 1.14E+05 9.87E+04 9.18E+04 1.40E+05 9.55E+04 7.08E+04 7.34E+04 7.82E+04 5.99E+04 7.96E+04 2.23E+05 1.37E+05 6.75E+04 6.07E+04 7.92E+04 6.71E+04 6.37E+04 9.56E+04 5.25E+04 1.05E+05 8.61E+04 6.55E+04 1.09E+05 6.44E+04 7.79E+04 6.30E+04 5.44E+04 7.20E+04 7.28E+04 7.59E+04 1.68E+05 1.10E+05 1.33E+05 7.05E+04 ITP 2.76E+04 5.18E+04 1.70E+04 2.29E+04 2.84E+04 3.69E+04 2.41E+04 2.35E+04 2.27E+04 5.04E+04 2.28E+04 3.09E+04 3.28E+03 6.48E+04 2.07E+04 1.95E+04 1.86E+04 1.33E+04 4.22E+04 2.22E+04 1.10E+04 1.88E+04 1.05E+04 2.42E+04 1.13E+04 1.07E+04 9.12E+03 3.95E+03 6.16E+04 4.57E+04 3.15E+04 1.01E+04 1.18E+04 4.58E+04 1.78E+04 1.43E+04 3.64E+04 1.70E+04 4.95E+04 1.73E+04 2.16E+04 2.42E+04 1.75E+04 3.37E+04 1.90E+04 1.75E+04 9.26E+03 7.18E+03 4.59E+04 3.76E+04 1.48E+04 2.55E+04 8.29E+03 6.96E+03 2.35E+04 1.09E+04 2.22E+03 5.08E+03 (S)(+)-Allantoin 2.41E+06 2.76E+06 2.32E+06 1.71E+06 3.54E+06 2.16E+06 1.49E+06 1.84E+06 2.59E+06 1.88E+06 1.83E+06 2.11E+06 3.63E+05 2.22E+06 1.84E+06 7.16E+05 1.76E+06 1.17E+06 2.20E+06 1.80E+06 9.38E+05 1.89E+06 2.30E+06 1.72E+06 1.93E+06 1.71E+06 1.93E+06 2.91E+06 1.63E+06 1.13E+06 1.61E+06 1.93E+06 1.71E+06 3.00E+06 2.38E+06 2.23E+06 2.06E+06 2.46E+06 1.65E+06 1.07E+06 2.37E+06 2.40E+06 1.29E+06 1.47E+06 1.96E+06 1.33E+06 2.32E+06 1.42E+06 1.55E+06 1.14E+06 1.15E+06 1.52E+06 1.23E+06 1.49E+06 2.59E+06 2.18E+06 2.16E+06 1.92E+06 Urate 9.33E+04 9.15E+04 6.00E+04 7.28E+04 3.06E+04 7.59E+04 7.08E+04 6.02E+04 4.55E+04 4.10E+04 5.07E+05 4.59E+04 5.48E+04 3.71E+04 5.17E+04 5.68E+04 9.64E+05 4.10E+04 5.07E+04 5.30E+04 1.45E+04 4.47E+04 4.60E+04 1.11E+05 4.59E+04 2.43E+04 2.76E+04 5.24E+04 3.49E+04 5.30E+04 5.68E+05 4.87E+04 3.78E+04 4.15E+04 8.39E+04 4.06E+05 3.49E+04 3.31E+04 4.32E+05 6.21E+04 5.36E+04 6.10E+04 6.40E+04 6.70E+04 3.61E+04 3.35E+04 3.14E+04 4.17E+04 7.66E+04 5.65E+04 5.93E+04 6.02E+04 3.81E+04 5.31E+04 2.07E+04 3.96E+04 4.42E+04 7.34E+04 Pyridoxal 2.06E+05 1.80E+05 2.22E+05 1.82E+05 2.63E+05 1.79E+05 1.06E+05 1.59E+05 2.23E+05 1.87E+05 2.43E+05 1.85E+05 5.22E+04 2.17E+05 2.42E+05 7.77E+04 2.29E+05 1.19E+05 1.91E+05 1.89E+05 1.89E+05 1.96E+05 2.39E+05 1.66E+05 2.20E+05 2.35E+05 1.85E+05 2.35E+05 1.63E+05 1.22E+05 1.61E+05 2.36E+05 1.76E+05 1.61E+05 2.45E+05 2.12E+05 1.76E+05 2.03E+05 1.90E+05 8.45E+04 2.38E+05 1.53E+05 1.18E+05 1.75E+05 2.35E+05 1.28E+05 2.17E+05 1.84E+05 1.93E+05 1.46E+05 1.62E+05 1.70E+05 1.97E+05 1.83E+05 2.23E+05 2.66E+05 2.36E+05 1.75E+05 4-Pyridoxate 2.10E+05 1.96E+05 2.36E+05 1.49E+05 2.61E+05 1.64E+05 1.27E+05 1.66E+05 1.48E+05 1.93E+05 2.31E+05 1.64E+05 3.68E+04 2.49E+05 2.37E+05 8.00E+04 1.87E+05 1.14E+05 2.21E+05 2.94E+05 2.01E+05 2.42E+05 3.07E+05 1.84E+05 2.72E+05 1.88E+05 2.61E+05 2.72E+05 1.54E+05 1.67E+05 1.34E+05 2.48E+05 1.52E+05 2.31E+05 2.87E+05 1.73E+05 1.97E+05 2.26E+05 1.41E+05 7.67E+04 2.51E+05 1.56E+05 1.09E+05 1.80E+05 2.34E+05 1.04E+05 3.14E+05 2.44E+05 1.97E+05 1.57E+05 1.34E+05 1.20E+05 1.99E+05 1.98E+05 2.99E+05 2.66E+05 2.77E+05 1.98E+05 UDP-glucose 7.68E+05 8.09E+05 7.17E+05 7.59E+05 8.20E+05 6.59E+05 6.30E+05 6.00E+05 6.94E+05 7.50E+05 6.90E+05 5.65E+05 2.38E+05 6.86E+05 7.04E+05 4.58E+05 7.85E+05 5.05E+05 7.66E+05 7.65E+05 7.24E+05 6.37E+05 7.81E+05 6.74E+05 7.37E+05 7.61E+05 6.30E+05 6.81E+05 5.94E+05 5.28E+05 5.60E+05 8.20E+05 6.54E+05 5.75E+05 6.54E+05 5.63E+05 6.18E+05 6.22E+05 6.60E+05 3.72E+05 7.49E+05 5.24E+05 4.88E+05 5.02E+05 6.07E+05 4.39E+05 7.37E+05 5.99E+05 8.35E+05 5.54E+05 5.15E+05 5.61E+05 7.04E+05 5.34E+05 5.46E+05 8.00E+05 5.46E+05 5.18E+05 ADP-D-ribose 1.23E+05 1.20E+05 9.17E+04 1.18E+05 9.04E+04 1.15E+05 1.43E+05 1.23E+05 1.05E+05 8.56E+04 9.98E+04 1.05E+05 9.89E+04 9.23E+04 7.32E+04 1.95E+05 1.05E+05 1.19E+05 1.32E+05 7.34E+04 8.36E+04 1.38E+05 1.27E+05 1.15E+05 8.80E+04 7.02E+04 1.23E+05 8.21E+04 1.18E+05 1.00E+05 1.03E+05 3.95E+04 8.28E+04 6.32E+04 8.38E+04 7.40E+04 9.60E+04 7.52E+04 9.71E+04 1.20E+05 8.88E+04 1.03E+05 9.05E+04 6.72E+04 9.30E+04 9.83E+04 5.80E+04 8.45E+04 1.16E+05 1.15E+05 7.53E+04 1.03E+05 5.24E+04 1.10E+05 6.07E+04 6.49E+04 7.25E+04 9.76E+04 Diphosphate 6.97E+05 6.25E+05 7.04E+05 1.05E+06 7.60E+05 5.31E+05 7.60E+05 8.37E+05 1.16E+06 7.14E+05 8.29E+05 1.65E+06 1.36E+06 6.19E+05 6.51E+05 1.06E+06 1.11E+06 2.26E+06 7.45E+05 5.16E+05 1.02E+06 6.63E+05 1.02E+06 1.39E+06 8.56E+05 6.32E+05 1.50E+06 2.19E+06 3.84E+05 9.57E+05 1.40E+06 1.51E+06 1.17E+06 8.32E+05 6.45E+05 1.68E+06 1.01E+06 1.59E+06 6.12E+05 1.35E+06 9.85E+05 1.47E+06 3.23E+06 1.44E+06 8.13E+05 2.44E+06 1.18E+06 2.45E+06 6.24E+05 8.30E+05 1.55E+06 1.16E+06 1.29E+06 1.03E+06 6.58E+05 1.23E+06 1.74E+06 3.03E+06 D-Glucose 2.97E+07 3.44E+07 3.46E+07 3.27E+07 3.13E+07 3.92E+07 2.49E+07 3.37E+07 2.96E+07 2.80E+07 3.17E+07 4.44E+07 1.24E+07 3.17E+07 3.15E+07 2.73E+07 3.24E+07 3.46E+07 3.29E+07 2.85E+07 2.23E+07 3.46E+07 4.25E+07 2.79E+07 3.10E+07 3.64E+07 3.07E+07 2.18E+07 2.77E+07 2.65E+07 3.10E+07 3.04E+07 2.64E+07 3.27E+07 1.26E+07 2.44E+07 3.54E+07 2.84E+07 3.29E+07 2.71E+07 2.99E+07 2.68E+07 4.43E+07 2.40E+07 3.43E+07 3.74E+07 3.25E+07 2.91E+07 2.86E+07 3.19E+07 1.92E+07 3.12E+07 2.20E+07 3.15E+07 3.36E+07 1.79E+07 2.10E+07 7.22E+06 D-Glucose 6/1-phosphate 5.16E+06 4.58E+06 4.98E+06 2.66E+06 5.08E+06 3.99E+06 2.68E+06 3.49E+06 3.21E+06 4.78E+06 4.03E+06 3.26E+06 1.31E+06 3.97E+06 3.53E+06 1.52E+06 2.59E+06 1.61E+06 4.08E+06 3.54E+06 2.66E+06 2.92E+06 3.46E+06 2.96E+06 2.44E+06 2.62E+06 1.72E+06 2.86E+06 4.30E+06 2.97E+06 4.17E+06 3.41E+06 2.48E+06 3.58E+06 3.53E+06 2.95E+06 3.02E+06 2.49E+06 3.83E+06 1.72E+06 3.41E+06 2.56E+06 1.66E+06 2.95E+06 2.82E+06 1.74E+06 2.98E+06 2.14E+06 4.50E+06 2.99E+06 1.87E+06 2.56E+06 2.27E+06 2.76E+06 3.01E+06 2.28E+06 2.31E+06 1.94E+06 D-Fructose 1-6-bisphosphate 2.49E+07 1.89E+07 1.61E+07 1.44E+07 2.08E+07 1.70E+07 8.69E+06 1.50E+07 1.72E+07 2.11E+07 1.97E+07 1.47E+07 1.16E+06 1.87E+07 1.28E+07 9.45E+06 9.36E+06 6.72E+06 2.36E+07 1.43E+07 9.68E+06 1.68E+07 1.48E+07 1.69E+07 1.23E+07 1.00E+07 6.64E+06 4.83E+06 2.04E+07 1.30E+07 1.52E+07 6.64E+06 6.78E+06 1.56E+07 1.67E+07 1.04E+07 1.51E+07 8.28E+06 1.73E+07 7.49E+06 1.37E+07 9.26E+06 3.91E+06 1.50E+07 1.28E+07 6.51E+06 9.83E+06 4.85E+06 2.08E+07 1.41E+07 7.78E+06 8.97E+06 4.74E+06 1.34E+07 1.34E+07 5.79E+06 2.77E+06 8.01E+06 D-Glyceraldehyde 3-phosphate/Glycerone phosphate 1.21E+07 1.10E+07 1.24E+07 8.76E+06 1.23E+07 1.04E+07 7.32E+06 1.01E+07 9.52E+06 1.60E+07 1.09E+07 8.80E+06 2.31E+05 1.37E+07 9.63E+06 5.31E+06 5.91E+06 4.52E+06 1.40E+07 1.14E+07 9.08E+06 1.10E+07 1.05E+07 1.00E+07 8.76E+06 8.50E+06 5.46E+06 2.81E+06 1.25E+07 1.17E+07 1.14E+07 4.99E+06 5.99E+06 1.09E+07 9.62E+06 6.72E+06 1.08E+07 7.96E+06 1.12E+07 5.71E+06 1.03E+07 7.48E+06 3.35E+06 8.82E+06 7.83E+06 5.58E+06 8.09E+06 3.87E+06 1.14E+07 1.01E+07 5.76E+06 7.77E+06 5.41E+06 8.23E+06 9.45E+06 5.10E+06 1.88E+06 5.50E+06 1/2-3-Bisphosphoglycerate 1.76E+08 1.62E+08 1.38E+08 1.50E+08 1.87E+08 1.38E+08 9.15E+07 1.16E+08 1.57E+08 1.41E+08 1.58E+08 1.41E+08 6.58E+07 1.29E+08 1.52E+08 6.47E+07 1.39E+08 9.41E+07 1.81E+08 1.43E+08 1.61E+08 1.30E+08 1.62E+08 1.10E+08 1.62E+08 1.35E+08 1.33E+08 2.26E+08 1.22E+08 7.16E+07 9.11E+07 1.76E+08 1.22E+08 1.18E+08 1.12E+08 1.29E+08 1.02E+08 9.68E+07 1.24E+08 5.51E+07 1.33E+08 9.02E+07 7.07E+07 1.29E+08 1.33E+08 9.06E+07 1.68E+08 1.35E+08 1.55E+08 1.11E+08 1.04E+08 1.27E+08 1.40E+08 1.25E+08 1.57E+08 1.25E+08 1.09E+08 8.85E+07 2/3-Phospho-D-glycerate 2.88E+07 3.61E+07 3.10E+07 2.93E+07 3.92E+07 2.74E+07 1.98E+07 2.29E+07 2.65E+07 3.13E+07 3.17E+07 2.78E+07 6.95E+06 2.92E+07 3.02E+07 1.31E+07 2.88E+07 1.84E+07 3.03E+07 2.47E+07 2.07E+07 2.27E+07 2.70E+07 2.05E+07 2.75E+07 2.61E+07 2.39E+07 3.25E+07 2.52E+07 1.97E+07 2.40E+07 3.22E+07 2.42E+07 2.58E+07 2.62E+07 2.81E+07 2.41E+07 1.96E+07 2.77E+07 1.32E+07 2.23E+07 2.17E+07 1.65E+07 2.58E+07 2.50E+07 1.67E+07 3.36E+07 2.24E+07 2.91E+07 1.95E+07 1.88E+07 2.24E+07 2.22E+07 2.36E+07 2.61E+07 2.97E+07 2.36E+07 2.00E+07 Phosphoenolpyruvate 7.98E+06 7.85E+06 6.10E+06 7.01E+06 9.06E+06 6.97E+06 4.08E+06 5.83E+06 7.62E+06 7.55E+06 7.53E+06 7.76E+06 3.11E+06 6.80E+06 7.83E+06 3.20E+06 6.55E+06 4.42E+06 8.60E+06 6.41E+06 7.77E+06 6.39E+06 7.39E+06 5.45E+06 7.57E+06 5.65E+06 6.36E+06 1.07E+07 6.57E+06 4.34E+06 5.61E+06 8.82E+06 5.84E+06 6.40E+06 5.48E+06 6.66E+06 6.42E+06 4.93E+06 6.87E+06 2.51E+06 6.46E+06 4.62E+06 4.17E+06 6.66E+06 6.60E+06 5.11E+06 7.93E+06 6.49E+06 7.76E+06 5.52E+06 5.11E+06 6.34E+06 7.39E+06 6.07E+06 7.68E+06 7.40E+06 5.84E+06 4.26E+06 Pyruvate 4.17E+06 3.20E+06 4.49E+06 2.45E+06 3.99E+06 3.66E+06 2.27E+06 2.41E+06 2.22E+06 2.80E+06 3.82E+06 3.11E+06 2.08E+06 2.61E+06 3.18E+06 1.66E+06 3.20E+06 2.17E+06 2.94E+06 3.32E+06 2.24E+06 2.10E+06 2.69E+06 2.01E+06 2.70E+06 2.77E+06 2.38E+06 2.40E+06 2.80E+06 1.67E+06 2.39E+06 2.25E+06 2.45E+06 2.54E+06 1.61E+06 2.44E+06 2.08E+06 2.03E+06 2.16E+06 1.45E+06 2.44E+06 2.00E+06 2.16E+06 2.25E+06 2.35E+06 2.09E+06 2.69E+06 1.74E+06 2.51E+06 2.04E+06 1.91E+06 2.31E+06 2.11E+06 2.22E+06 2.71E+06 2.94E+06 3.73E+06 1.24E+06 Lactate 1.98E+08 2.00E+08 1.78E+08 1.15E+08 2.05E+08 1.83E+08 1.55E+08 1.47E+08 1.53E+08 1.50E+08 2.21E+08 1.71E+08 5.09E+07 2.11E+08 1.70E+08 1.32E+08 1.66E+08 1.35E+08 1.32E+08 1.60E+08 1.30E+08 1.57E+08 1.52E+08 1.13E+08 1.55E+08 1.67E+08 1.32E+08 1.24E+08 1.95E+08 1.48E+08 1.66E+08 1.80E+08 1.46E+08 1.51E+08 1.14E+08 1.79E+08 1.46E+08 1.62E+08 1.50E+08 1.07E+08 1.57E+08 1.81E+08 1.50E+08 1.60E+08 1.73E+08 1.76E+08 1.88E+08 1.33E+08 1.89E+08 1.52E+08 1.29E+08 1.60E+08 1.40E+08 1.16E+08 1.37E+08 2.12E+08 2.16E+08 6.91E+07 Mannitol/Sorbitol 3.93E+05 2.02E+05 3.53E+05 3.60E+05 2.60E+05 2.65E+05 1.92E+05 2.58E+05 4.07E+05 5.44E+05 3.82E+05 2.85E+05 1.27E+05 3.12E+05 2.48E+05 2.05E+05 2.69E+05 3.69E+05 4.59E+05 5.18E+05 2.09E+05 7.74E+05 6.41E+05 4.03E+05 1.85E+05 3.58E+05 2.48E+05 2.19E+05 5.68E+05 2.34E+05 4.76E+05 6.14E+05 4.54E+05 2.57E+05 1.08E+05 5.88E+05 3.75E+05 5.06E+05 3.16E+05 1.70E+05 3.11E+05 6.67E+05 3.69E+05 4.87E+05 2.38E+05 2.41E+05 3.79E+05 6.86E+05 2.90E+05 3.42E+05 2.63E+05 6.54E+05 3.18E+05 4.06E+05 2.40E+05 3.29E+05 2.97E+05 1.51E+05 D-Ribose 7.11E+05 7.53E+05 8.16E+05 7.03E+05 7.64E+05 8.58E+05 4.74E+05 6.44E+05 5.71E+05 6.68E+05 7.48E+05 7.90E+05 2.40E+05 7.47E+05 7.31E+05 5.65E+05 7.36E+05 7.44E+05 6.66E+05 6.84E+05 5.43E+05 8.07E+05 9.33E+05 6.07E+05 8.00E+05 7.49E+05 7.15E+05 4.48E+05 7.71E+05 4.89E+05 7.12E+05 7.16E+05 5.25E+05 8.38E+05 6.28E+05 4.98E+05 7.73E+05 6.33E+05 7.27E+05 5.69E+05 7.64E+05 5.85E+05 8.45E+05 5.63E+05 7.35E+05 7.35E+05 7.90E+05 5.96E+05 7.18E+05 6.89E+05 3.74E+05 6.28E+05 5.96E+05 6.58E+05 8.05E+05 3.84E+05 5.30E+05 2.13E+05 D-Rhamnose 4.26E+05 3.29E+05 3.81E+05 3.57E+05 5.73E+05 4.57E+05 3.28E+05 2.97E+05 5.05E+05 4.37E+05 4.34E+05 3.72E+05 8.68E+04 4.96E+05 6.01E+05 2.38E+05 7.15E+05 3.64E+05 4.81E+05 4.16E+05 3.14E+05 4.06E+05 3.47E+05 3.33E+05 5.60E+05 5.53E+05 5.86E+05 3.67E+05 4.28E+05 2.05E+05 3.79E+05 3.52E+05 3.16E+05 6.96E+05 7.40E+05 5.98E+05 6.99E+05 5.63E+05 5.24E+05 1.50E+05 4.58E+05 4.22E+05 2.18E+05 4.33E+05 6.70E+05 3.71E+05 6.01E+05 4.55E+05 4.20E+05 4.35E+05 3.29E+05 3.87E+05 3.62E+05 5.42E+05 7.12E+05 6.71E+05 6.43E+05 4.68E+05 D-Arabitol 2.36E+05 2.05E+05 2.51E+05 1.62E+05 2.86E+05 1.76E+05 1.28E+05 1.06E+05 1.99E+05 1.82E+05 2.19E+05 2.25E+05 4.67E+04 2.35E+05 2.40E+05 8.01E+04 2.98E+05 1.26E+05 1.97E+05 2.25E+05 1.56E+05 2.42E+05 2.45E+05 1.47E+05 1.65E+05 1.54E+05 2.16E+05 1.20E+05 2.37E+05 1.74E+05 2.06E+05 2.40E+05 2.70E+05 2.27E+05 3.04E+05 2.66E+05 2.82E+05 2.50E+05 2.37E+05 8.87E+04 1.80E+05 2.14E+05 1.46E+05 1.58E+05 2.35E+05 1.31E+05 2.57E+05 1.74E+05 2.17E+05 1.39E+05 1.17E+05 1.70E+05 1.84E+05 1.33E+05 2.48E+05 1.81E+05 2.24E+05 2.52E+05 Citrate 3.32E+07 2.78E+07 3.24E+07 2.65E+07 4.60E+07 2.90E+07 1.85E+07 2.78E+07 3.57E+07 3.36E+07 2.91E+07 2.53E+07 9.59E+06 2.54E+07 2.63E+07 1.05E+07 2.54E+07 2.02E+07 2.48E+07 2.30E+07 2.77E+07 2.57E+07 3.23E+07 2.52E+07 2.12E+07 1.83E+07 2.79E+07 3.23E+07 3.44E+07 2.65E+07 4.61E+07 3.04E+07 3.80E+07 3.30E+07 2.00E+07 2.99E+07 3.07E+07 3.94E+07 2.59E+07 1.54E+07 3.23E+07 4.31E+07 3.26E+07 2.31E+07 2.36E+07 2.50E+07 2.91E+07 2.67E+07 2.49E+07 2.45E+07 2.05E+07 3.24E+07 3.55E+07 2.22E+07 3.09E+07 2.35E+07 2.75E+07 2.34E+07 2-Oxoglutarate 1.25E+05 9.08E+04 5.98E+04 4.26E+04 1.05E+05 4.96E+04 3.18E+04 4.51E+04 4.05E+04 8.16E+04 9.65E+04 2.14E+04 1.08E+05 6.31E+04 7.56E+04 8.33E+03 8.03E+04 3.20E+04 5.15E+04 7.36E+04 7.58E+04 5.27E+04 5.61E+04 5.13E+04 4.88E+04 6.63E+04 6.48E+04 9.38E+04 1.69E+05 3.76E+04 3.47E+04 8.81E+04 3.52E+04 5.99E+04 1.30E+05 6.16E+04 5.61E+04 6.54E+04 2.27E+04 2.28E+04 5.72E+04 3.69E+04 3.35E+04 7.12E+04 6.39E+04 2.65E+04 5.29E+04 5.30E+04 6.02E+04 2.91E+04 2.70E+04 3.12E+04 9.50E+04 2.86E+04 6.33E+04 7.49E+04 1.48E+05 2.84E+04 2-Oxoglutaramate 5.49E+04 4.82E+04 5.33E+04 3.15E+04 5.83E+04 4.85E+04 3.30E+04 4.47E+04 2.01E+04 2.97E+04 3.56E+04 3.64E+04 1.79E+04 1.96E+04 4.97E+04 2.24E+04 2.69E+04 4.10E+04 3.47E+04 5.71E+04 2.59E+04 2.73E+04 2.94E+04 2.94E+04 3.06E+04 4.46E+04 2.83E+04 3.52E+04 3.24E+04 2.60E+04 7.52E+04 5.02E+04 3.64E+04 1.60E+04 2.20E+04 4.51E+04 2.86E+04 4.47E+04 3.22E+04 3.05E+04 3.24E+04 4.83E+04 2.66E+04 4.58E+04 3.37E+04 4.37E+04 4.60E+04 2.57E+04 3.20E+04 3.27E+04 2.81E+04 5.08E+04 6.51E+04 3.59E+04 3.44E+04 6.28E+04 4.76E+04 8.14E+03 Succinate 9.09E+05 9.43E+05 1.03E+06 5.28E+05 6.57E+05 5.02E+05 3.90E+05 5.13E+05 5.26E+05 6.31E+05 1.59E+06 1.37E+06 3.01E+05 5.08E+05 4.85E+05 2.49E+05 7.48E+05 4.47E+05 4.41E+05 5.30E+05 8.06E+05 6.13E+05 6.42E+05 5.41E+05 5.10E+05 6.81E+05 6.79E+05 9.87E+05 7.03E+05 5.02E+05 7.04E+05 1.06E+06 6.45E+05 5.63E+05 7.94E+05 1.14E+06 5.34E+05 8.30E+05 7.14E+05 4.20E+05 7.19E+05 9.57E+05 1.21E+06 5.39E+05 6.09E+05 6.83E+05 7.26E+05 1.43E+06 4.81E+05 3.71E+05 3.58E+05 4.48E+05 6.16E+05 4.41E+05 5.53E+05 5.27E+05 7.53E+05 3.82E+05 Fumarate 1.15E+06 9.72E+05 9.79E+05 6.86E+05 8.75E+05 5.92E+05 3.54E+05 4.16E+05 6.57E+05 7.91E+05 1.20E+06 1.00E+06 2.36E+05 4.81E+05 7.05E+05 2.82E+05 6.06E+05 2.74E+05 5.98E+05 5.86E+05 5.70E+05 7.62E+05 7.04E+05 3.35E+05 5.26E+05 4.76E+05 5.42E+05 9.40E+05 8.89E+05 3.48E+05 9.61E+05 8.52E+05 6.27E+05 4.70E+05 4.12E+05 8.30E+05 4.86E+05 4.88E+05 4.98E+05 2.79E+05 7.97E+05 1.09E+06 7.88E+05 5.92E+05 5.40E+05 4.17E+05 8.14E+05 5.64E+05 6.07E+05 3.54E+05 4.70E+05 5.20E+05 6.61E+05 2.97E+05 4.61E+05 6.78E+05 8.23E+05 2.89E+05 Malate 1.46E+07 1.54E+07 1.47E+07 9.38E+06 1.46E+07 8.23E+06 6.74E+06 7.64E+06 1.05E+07 1.54E+07 2.06E+07 2.20E+07 3.27E+06 1.20E+07 1.21E+07 4.33E+06 1.09E+07 4.85E+06 1.24E+07 1.26E+07 1.28E+07 1.56E+07 1.25E+07 5.32E+06 1.07E+07 9.05E+06 1.20E+07 1.40E+07 1.83E+07 8.84E+06 2.01E+07 1.80E+07 1.39E+07 1.05E+07 8.65E+06 1.52E+07 1.03E+07 1.27E+07 1.30E+07 4.83E+06 1.53E+07 2.26E+07 1.55E+07 1.02E+07 1.08E+07 7.56E+06 1.69E+07 1.41E+07 1.33E+07 9.36E+06 7.63E+06 1.12E+07 1.58E+07 5.97E+06 9.88E+06 1.12E+07 1.57E+07 6.28E+06 Oxaloacetate 9.16E+04 7.28E+04 4.46E+04 7.48E+04 9.32E+04 7.95E+04 9.14E+04 4.01E+04 6.81E+04 8.42E+04 5.24E+04 7.90E+04 5.98E+04 8.75E+04 3.98E+04 6.40E+04 7.87E+04 5.97E+04 6.12E+04 9.19E+04 9.33E+04 6.78E+04 7.37E+04 7.08E+04 7.32E+04 1.06E+05 7.58E+04 1.01E+05 8.24E+04 7.42E+04 3.84E+04 8.55E+04 8.64E+04 8.90E+04 1.08E+05 9.10E+04 8.83E+04 4.07E+04 6.84E+04 4.90E+04 5.95E+04 8.64E+04 5.25E+04 8.87E+04 7.81E+04 5.18E+04 8.52E+04 4.40E+04 7.40E+04 8.07E+04 4.32E+04 9.79E+04 1.21E+05 7.43E+04 1.14E+05 7.44E+04 8.40E+04 5.22E+04 2-Hydroxyglutarate/Citramalate 8.73E+05 7.14E+05 9.11E+05 5.95E+05 1.01E+06 5.09E+05 3.95E+05 5.41E+05 6.66E+05 7.94E+05 1.05E+06 8.12E+05 1.52E+05 6.71E+05 7.60E+05 2.33E+05 5.90E+05 3.58E+05 6.94E+05 7.42E+05 8.14E+05 6.79E+05 8.91E+05 5.29E+05 6.32E+05 6.44E+05 8.75E+05 6.57E+05 7.76E+05 4.04E+05 6.65E+05 8.42E+05 7.02E+05 7.67E+05 8.49E+05 7.12E+05 5.99E+05 8.05E+05 6.77E+05 2.87E+05 7.30E+05 7.55E+05 5.51E+05 4.50E+05 6.18E+05 4.32E+05 6.83E+05 5.36E+05 6.73E+05 4.47E+05 4.08E+05 4.39E+05 6.93E+05 3.85E+05 6.25E+05 7.14E+05 7.68E+05 5.17E+05 6-Phospho-D-gluconate 1.28E+06 1.52E+06 1.19E+06 9.74E+05 1.14E+06 9.32E+05 1.50E+06 1.12E+06 9.10E+05 1.33E+06 1.36E+06 1.35E+06 2.31E+06 1.08E+06 1.41E+06 7.64E+05 1.62E+06 1.21E+06 1.47E+06 1.04E+06 2.99E+06 1.58E+06 1.03E+06 8.94E+05 1.60E+06 1.25E+06 1.50E+06 3.17E+06 1.57E+06 9.13E+05 1.37E+06 1.44E+06 1.70E+06 7.73E+05 7.93E+05 9.64E+05 9.77E+05 1.10E+06 8.66E+05 7.69E+05 1.24E+06 9.27E+05 1.56E+06 7.44E+05 1.31E+06 1.17E+06 9.38E+05 1.95E+06 1.40E+06 1.19E+06 1.05E+06 1.55E+06 2.87E+06 1.06E+06 1.32E+06 1.40E+06 1.75E+06 1.05E+06 D-Glucono-1-5-lactone 6-phosphate 3.89E+04 3.45E+04 3.88E+04 2.81E+04 3.27E+04 4.15E+04 2.90E+04 2.02E+04 5.34E+04 4.02E+04 3.56E+04 3.15E+04 1.38E+04 3.79E+04 3.26E+04 1.60E+04 3.27E+04 1.87E+04 3.76E+04 3.26E+04 2.42E+04 3.01E+04 2.29E+04 2.49E+04 1.31E+04 2.76E+04 3.33E+04 3.53E+04 2.71E+04 3.14E+04 2.33E+04 3.67E+04 9.42E+03 3.12E+04 2.85E+04 1.72E+04 1.71E+04 1.67E+04 2.42E+04 1.53E+04 3.94E+04 2.03E+04 8.18E+03 1.97E+04 1.21E+04 1.69E+04 1.89E+04 1.33E+04 2.48E+04 2.96E+04 1.75E+04 1.90E+04 2.51E+04 2.44E+04 1.25E+04 1.76E+04 2.56E+04 2.04E+04 D-Erythrose 4-phosphate 2.46E+05 2.02E+05 1.87E+05 1.31E+05 1.90E+05 1.56E+05 9.90E+04 1.03E+05 1.58E+05 1.60E+05 1.71E+05 1.24E+05 4.35E+04 1.13E+05 1.52E+05 8.36E+04 1.09E+05 6.77E+04 1.52E+05 1.22E+05 9.93E+04 1.08E+05 1.56E+05 1.09E+05 1.27E+05 1.06E+05 9.12E+04 1.39E+05 1.18E+05 6.87E+04 1.10E+05 1.26E+05 1.08E+05 9.15E+04 1.70E+05 1.31E+05 1.38E+05 8.40E+04 1.23E+05 8.23E+04 1.40E+05 9.68E+04 7.74E+04 1.44E+05 1.41E+05 7.68E+04 1.34E+05 1.05E+05 1.30E+05 9.68E+04 7.09E+04 1.03E+05 1.12E+05 1.18E+05 1.38E+05 1.45E+05 1.33E+05 8.56E+04 Sedoheptulose 1/7-phosphate 1.83E+06 2.45E+06 2.38E+06 2.72E+06 2.95E+06 2.53E+06 2.61E+06 2.66E+06 2.31E+06 2.72E+06 2.39E+06 2.42E+06 2.70E+06 2.62E+06 3.20E+06 1.16E+06 2.96E+06 2.51E+06 2.35E+06 2.84E+06 2.53E+06 2.24E+06 2.97E+06 2.20E+06 3.05E+06 3.43E+06 3.14E+06 5.21E+06 1.87E+06 2.02E+06 2.35E+06 6.03E+06 3.30E+06 2.48E+06 2.43E+06 2.42E+06 2.36E+06 2.89E+06 2.26E+06 1.46E+06 2.46E+06 2.61E+06 3.09E+06 2.37E+06 2.45E+06 2.42E+06 3.86E+06 4.02E+06 2.59E+06 2.11E+06 2.78E+06 2.88E+06 4.31E+06 2.31E+06 3.08E+06 3.69E+06 7.69E+06 2.02E+06 alpha-D-Ribose 1-phosphate 1.97E+07 2.42E+07 2.27E+07 2.11E+07 2.43E+07 2.18E+07 1.63E+07 2.10E+07 1.90E+07 2.31E+07 1.73E+07 1.91E+07 2.93E+06 2.28E+07 1.91E+07 1.04E+07 1.45E+07 1.38E+07 2.03E+07 2.09E+07 1.62E+07 1.86E+07 2.22E+07 1.81E+07 1.91E+07 1.76E+07 1.65E+07 1.37E+07 1.84E+07 1.97E+07 2.05E+07 2.37E+07 1.81E+07 1.89E+07 1.95E+07 1.68E+07 1.80E+07 1.85E+07 1.97E+07 1.25E+07 1.97E+07 2.04E+07 1.56E+07 1.66E+07 1.52E+07 1.41E+07 2.23E+07 1.57E+07 2.04E+07 1.86E+07 1.60E+07 1.97E+07 2.09E+07 1.68E+07 1.86E+07 1.53E+07 1.51E+07 1.35E+07 Glutathione 6.74E+04 6.01E+04 5.06E+04 7.30E+04 8.45E+04 6.14E+04 4.80E+04 4.63E+04 6.54E+04 1.20E+05 3.63E+05 7.93E+04 4.49E+05 6.50E+04 8.27E+04 2.74E+04 2.66E+05 5.82E+04 4.28E+04 5.12E+04 1.14E+05 1.33E+05 1.26E+05 6.92E+04 1.14E+05 8.42E+04 5.73E+04 2.48E+04 9.20E+04 6.32E+04 1.53E+05 7.93E+04 1.43E+05 8.83E+04 5.47E+04 4.59E+04 8.44E+04 4.88E+04 1.11E+05 4.09E+04 1.07E+05 5.93E+04 4.91E+04 9.51E+04 5.83E+04 8.45E+04 9.34E+04 5.00E+04 3.26E+04 9.55E+04 8.35E+04 6.24E+04 6.40E+04 8.72E+04 7.30E+04 7.98E+04 5.87E+04 8.58E+04 Ascorbate 2.40E+05 2.82E+05 2.67E+05 2.45E+05 4.02E+05 3.07E+05 2.17E+05 3.18E+05 2.51E+05 3.22E+05 2.67E+05 4.60E+05 7.73E+04 3.45E+05 3.33E+05 1.77E+05 3.10E+05 2.19E+05 3.64E+05 3.41E+05 3.61E+05 3.33E+05 4.04E+05 1.84E+05 2.91E+05 4.16E+05 2.11E+05 2.14E+05 3.24E+05 2.46E+05 3.86E+05 3.74E+05 3.81E+05 3.14E+05 1.65E+05 2.37E+05 3.12E+05 3.83E+05 4.03E+05 1.82E+05 3.51E+05 2.21E+05 3.51E+05 1.42E+05 4.14E+05 2.78E+05 2.41E+05 2.84E+05 3.21E+05 2.73E+05 1.44E+05 3.39E+05 2.88E+05 2.22E+05 3.83E+05 1.95E+05 3.01E+05 6.22E+04 Dehydroascorbate 1.15E+06 8.80E+05 9.88E+05 7.04E+05 1.19E+06 7.34E+05 5.37E+05 6.98E+05 8.92E+05 1.01E+06 1.19E+06 9.21E+05 2.72E+05 7.46E+05 7.38E+05 3.55E+05 9.12E+05 4.57E+05 6.26E+05 7.05E+05 6.74E+05 7.81E+05 7.44E+05 5.89E+05 5.64E+05 6.41E+05 6.19E+05 7.66E+05 1.10E+06 6.53E+05 9.55E+05 8.05E+05 9.45E+05 8.33E+05 6.53E+05 8.49E+05 8.27E+05 8.65E+05 7.59E+05 4.46E+05 8.83E+05 1.18E+06 9.71E+05 5.56E+05 7.80E+05 6.31E+05 8.21E+05 6.86E+05 7.66E+05 5.84E+05 4.68E+05 7.60E+05 8.01E+05 6.51E+05 8.41E+05 6.82E+05 7.30E+05 6.50E+05 gamma-L-Glutamyl-L-cysteine 1.10E+05 1.13E+05 1.33E+05 8.40E+04 1.80E+05 5.63E+04 3.08E+04 8.86E+04 4.54E+04 8.47E+04 1.67E+03 3.68E+04 0.00E+00 1.30E+05 9.97E+04 4.95E+04 1.86E+03 7.70E+04 1.54E+05 1.03E+05 9.35E+04 8.89E+04 9.34E+04 1.29E+05 7.23E+04 1.29E+05 9.90E+04 3.99E+04 1.08E+05 7.71E+04 0.00E+00 9.27E+04 2.35E+03 9.42E+04 2.56E+05 4.06E+04 9.12E+04 7.59E+04 0.00E+00 6.45E+04 9.54E+04 7.39E+04 6.86E+04 5.52E+04 2.86E+05 8.61E+04 1.59E+05 6.96E+04 1.21E+05 5.70E+04 8.09E+04 8.20E+04 6.33E+04 1.29E+05 1.44E+05 1.80E+05 2.30E+05 1.32E+05 gamma-L-Glutamyl-D-alanine 9.51E+04 1.07E+05 8.11E+04 8.46E+04 1.49E+05 1.63E+05 9.66E+04 1.17E+05 8.98E+04 1.53E+05 1.40E+05 8.66E+04 4.34E+04 1.76E+05 1.72E+05 1.08E+05 1.58E+05 1.00E+05 1.27E+05 9.64E+04 8.49E+04 9.55E+04 1.05E+05 1.53E+05 1.74E+05 1.11E+05 1.07E+05 6.16E+04 1.79E+05 1.80E+05 1.83E+05 1.03E+05 1.07E+05 1.56E+05 9.14E+04 1.20E+05 1.31E+05 9.58E+04 1.66E+05 1.16E+05 1.27E+05 2.35E+05 1.30E+05 1.87E+05 1.30E+05 1.87E+05 1.22E+05 7.14E+04 1.81E+05 1.57E+05 1.32E+05 1.24E+05 1.02E+05 1.12E+05 9.35E+04 1.35E+05 1.48E+05 4.83E+04 (5-L-Glutamyl)-L-glutamine 4.85E+05 3.12E+05 2.40E+05 2.59E+05 6.39E+05 5.39E+05 3.16E+05 3.74E+05 3.25E+05 7.64E+05 3.98E+05 2.46E+05 1.07E+05 8.34E+05 5.13E+05 2.97E+05 3.53E+05 2.65E+05 4.78E+05 4.08E+05 3.29E+05 2.45E+05 3.49E+05 7.75E+05 6.11E+05 3.83E+05 3.13E+05 3.12E+05 5.86E+05 5.46E+05 3.10E+05 3.34E+05 3.20E+05 6.90E+05 5.85E+05 3.59E+05 3.14E+05 2.93E+05 6.29E+05 3.08E+05 4.00E+05 3.87E+05 2.30E+05 7.38E+05 4.63E+05 4.64E+05 3.52E+05 3.50E+05 5.00E+05 4.04E+05 3.13E+05 3.54E+05 2.86E+05 4.04E+05 4.01E+05 5.46E+05 5.35E+05 3.41E+05 3-Phosphonooxypyruvate 8.30E+04 1.17E+05 8.38E+04 9.31E+04 1.38E+05 8.64E+04 6.67E+04 8.20E+04 6.57E+04 1.18E+05 6.85E+04 8.28E+04 1.70E+04 1.05E+05 9.80E+04 5.37E+04 7.59E+04 6.13E+04 8.93E+04 6.61E+04 7.19E+04 5.73E+04 8.87E+04 5.32E+04 8.63E+04 9.03E+04 7.43E+04 7.02E+04 9.74E+04 6.79E+04 6.24E+04 7.68E+04 7.07E+04 7.73E+04 7.39E+04 8.98E+04 7.62E+04 6.53E+04 8.31E+04 5.39E+04 6.75E+04 4.32E+04 5.54E+04 8.17E+04 7.74E+04 6.01E+04 9.52E+04 5.01E+04 8.48E+04 6.49E+04 5.18E+04 6.59E+04 6.02E+04 6.10E+04 9.12E+04 1.02E+05 7.09E+04 6.43E+04 Tetrahydrofolate 2.11E+04 2.47E+04 2.60E+04 2.33E+04 2.77E+04 2.79E+04 1.45E+04 1.42E+04 2.20E+04 2.73E+04 3.54E+04 4.02E+04 4.00E+03 2.14E+04 2.37E+04 9.96E+03 2.51E+04 1.34E+04 3.32E+04 2.29E+04 2.59E+04 3.27E+04 2.62E+04 1.59E+04 1.18E+04 2.09E+04 1.86E+04 2.52E+04 2.05E+04 1.31E+04 3.65E+04 2.40E+04 3.14E+04 2.28E+04 2.11E+04 1.77E+04 2.52E+04 1.38E+04 2.48E+04 1.30E+04 2.83E+04 2.71E+04 1.45E+04 1.30E+04 2.78E+04 1.44E+04 1.32E+04 1.35E+04 2.31E+04 1.92E+04 1.40E+04 1.80E+04 1.99E+04 1.77E+04 1.79E+04 1.89E+04 3.10E+04 1.99E+04 N-Acetylneuraminate 4.71E+05 4.54E+05 4.27E+05 4.39E+05 2.49E+05 3.73E+05 2.64E+05 2.91E+05 3.40E+05 2.37E+05 3.03E+05 1.91E+05 1.24E+05 1.95E+05 1.42E+05 1.70E+05 1.87E+05 2.95E+05 2.19E+05 1.95E+05 2.30E+05 2.26E+05 3.43E+05 2.94E+05 1.90E+05 1.33E+05 1.74E+05 3.23E+05 2.03E+05 2.19E+05 1.62E+05 2.76E+05 1.70E+05 1.63E+05 1.78E+05 1.90E+05 1.33E+05 1.73E+05 2.30E+05 2.25E+05 2.58E+05 2.97E+05 1.57E+05 3.31E+05 1.28E+05 1.58E+05 2.30E+05 2.46E+05 1.92E+05 2.29E+05 2.49E+05 2.87E+05 1.82E+05 1.99E+05 2.04E+05 1.72E+05 1.71E+05 1.60E+05 N-Glycoloyl-neuraminate 8.04E+04 6.73E+04 9.74E+04 5.55E+04 7.36E+04 8.61E+04 4.66E+04 6.39E+04 9.63E+04 8.19E+04 6.43E+04 1.12E+05 3.17E+04 7.25E+04 6.91E+04 4.42E+04 5.91E+04 6.54E+04 7.41E+04 4.93E+04 6.31E+04 6.93E+04 8.65E+04 1.07E+05 6.64E+04 7.11E+04 7.97E+04 8.05E+04 7.24E+04 6.97E+04 1.17E+05 8.19E+04 7.63E+04 8.45E+04 1.16E+05 5.13E+04 6.30E+04 6.52E+04 8.57E+04 7.95E+04 1.02E+05 1.29E+05 8.59E+04 7.37E+04 7.19E+04 6.34E+04 1.35E+05 8.08E+04 8.43E+04 9.44E+04 1.06E+05 1.19E+05 7.73E+04 7.16E+04 9.44E+04 9.27E+04 9.66E+04 1.09E+05 alpha-D-Glucosamine 1-phosphate 1.31E+05 9.78E+04 1.11E+05 9.63E+04 7.32E+04 8.79E+04 8.99E+04 9.86E+04 1.13E+05 8.13E+04 7.06E+04 9.74E+04 2.84E+04 7.78E+04 6.13E+04 6.81E+04 6.80E+04 8.55E+04 5.52E+04 7.82E+04 6.87E+04 6.03E+04 7.67E+04 1.05E+05 5.51E+04 4.44E+04 9.31E+04 9.26E+04 7.52E+04 8.37E+04 9.26E+04 9.44E+04 7.13E+04 6.60E+04 6.99E+04 5.51E+04 6.53E+04 8.60E+04 7.86E+04 7.52E+04 7.94E+04 1.09E+05 8.30E+04 7.39E+04 6.16E+04 9.26E+04 8.98E+04 6.18E+04 6.56E+04 6.60E+04 7.81E+04 9.54E+04 7.83E+04 6.04E+04 5.72E+04 6.08E+04 8.44E+04 5.91E+04 UDP-N-acetyl-D-glucosamine 1.65E+05 1.35E+05 1.30E+05 1.11E+05 1.24E+05 1.09E+05 9.46E+04 1.02E+05 1.10E+05 1.59E+05 1.58E+05 9.25E+04 5.42E+04 1.34E+05 1.42E+05 7.04E+04 1.13E+05 6.91E+04 1.60E+05 1.54E+05 1.61E+05 1.02E+05 1.34E+05 7.76E+04 1.08E+05 1.13E+05 1.04E+05 1.16E+05 1.25E+05 7.65E+04 8.95E+04 1.10E+05 9.00E+04 7.83E+04 9.31E+04 8.03E+04 9.62E+04 8.58E+04 1.12E+05 7.24E+04 1.15E+05 8.78E+04 6.84E+04 5.85E+04 8.75E+04 5.11E+04 9.01E+04 9.64E+04 1.41E+05 8.62E+04 6.51E+04 8.55E+04 1.12E+05 8.53E+04 8.34E+04 1.02E+05 9.36E+04 6.90E+04 CMP-N-acetylneuraminate 5.25E+05 5.55E+05 4.98E+05 4.60E+05 4.56E+05 4.24E+05 4.38E+05 4.12E+05 4.43E+05 4.09E+05 3.52E+05 3.75E+05 1.88E+05 3.78E+05 3.54E+05 3.50E+05 4.41E+05 3.68E+05 4.23E+05 3.77E+05 4.04E+05 4.17E+05 4.31E+05 4.14E+05 4.10E+05 3.89E+05 3.99E+05 2.76E+05 3.82E+05 3.08E+05 3.93E+05 4.49E+05 3.61E+05 3.57E+05 4.51E+05 2.64E+05 3.55E+05 4.43E+05 3.68E+05 3.10E+05 3.64E+05 4.12E+05 3.23E+05 3.01E+05 3.64E+05 3.03E+05 4.75E+05 2.95E+05 4.31E+05 2.87E+05 4.27E+05 3.27E+05 3.40E+05 3.87E+05 3.47E+05 4.00E+05 3.50E+05 3.16E+05 Phosphocreatine 1.19E+05 1.26E+05 1.12E+05 9.64E+04 2.03E+05 1.17E+05 1.10E+05 1.27E+05 1.07E+05 1.75E+05 1.83E+05 1.28E+05 5.60E+04 2.03E+05 1.64E+05 8.97E+04 1.94E+05 1.29E+05 1.99E+05 1.21E+05 1.81E+05 1.94E+05 1.43E+05 9.82E+04 1.42E+05 1.62E+05 1.26E+05 1.98E+05 1.92E+05 1.52E+05 1.74E+05 1.19E+05 1.69E+05 1.31E+05 2.48E+05 1.61E+05 1.26E+05 1.15E+05 2.08E+05 1.33E+05 1.08E+05 1.32E+05 1.46E+05 1.25E+05 1.94E+05 1.26E+05 1.81E+05 1.95E+05 2.39E+05 1.53E+05 1.92E+05 1.37E+05 1.38E+05 1.62E+05 1.47E+05 2.48E+05 1.61E+05 1.86E+05 N-Succinyl-L-glutamate 5-semialdehyde 2.09E+05 2.98E+05 2.36E+05 1.56E+05 1.29E+05 1.35E+05 1.12E+05 9.78E+04 1.05E+05 2.49E+05 2.68E+05 1.74E+05 4.74E+04 1.23E+05 1.51E+05 8.59E+04 1.20E+05 1.34E+05 1.15E+05 1.41E+05 9.70E+04 1.30E+05 1.26E+05 6.79E+04 1.20E+05 7.99E+04 8.45E+04 1.65E+05 3.18E+05 1.32E+05 1.78E+05 2.08E+05 2.29E+05 1.27E+05 9.58E+04 1.69E+05 7.30E+04 1.18E+05 1.54E+05 8.36E+04 1.83E+05 3.67E+05 2.17E+05 1.18E+05 9.60E+04 1.23E+05 1.30E+05 9.16E+04 2.70E+05 1.52E+05 1.15E+05 1.75E+05 2.24E+05 1.03E+05 8.05E+04 2.16E+05 1.74E+05 1.04E+05 3-Sulfino-L-alanine 4.79E+04 7.20E+04 7.17E+04 5.50E+04 8.97E+04 8.85E+04 4.41E+04 8.93E+04 6.61E+04 4.01E+04 3.48E+04 6.40E+04 1.66E+04 7.70E+04 5.13E+04 4.41E+04 3.20E+04 6.15E+04 8.25E+04 1.75E+04 6.49E+04 5.04E+04 5.05E+04 5.62E+04 4.32E+04 2.57E+04 5.24E+04 8.04E+04 6.23E+04 3.95E+04 5.94E+04 6.37E+04 3.79E+04 5.30E+04 1.09E+05 4.34E+04 4.77E+04 5.88E+04 3.52E+04 4.75E+04 4.48E+04 6.45E+04 6.95E+04 5.91E+04 7.80E+04 6.13E+04 7.49E+04 5.82E+04 6.96E+04 4.66E+04 3.68E+04 5.22E+04 6.46E+04 5.45E+04 4.59E+04 4.70E+04 8.41E+04 6.31E+04 3-Sulfocatechol 4.31E+05 5.33E+05 6.38E+05 2.12E+05 1.71E+05 5.25E+05 2.12E+05 2.30E+05 3.73E+05 3.49E+05 9.23E+05 3.73E+05 1.96E+05 5.82E+04 2.48E+05 1.43E+05 7.04E+05 2.74E+05 3.54E+04 1.88E+05 1.14E+05 2.32E+05 2.05E+05 6.92E+04 5.34E+04 8.00E+04 1.99E+05 3.18E+04 3.82E+05 4.66E+05 1.14E+06 6.12E+05 8.65E+05 6.99E+04 2.41E+03 2.89E+05 1.01E+05 5.32E+05 9.07E+05 4.48E+05 5.95E+05 7.17E+05 6.93E+05 2.45E+05 2.14E+05 1.71E+05 2.19E+05 1.92E+05 2.37E+05 1.87E+05 2.58E+05 3.06E+05 2.54E+05 1.04E+05 4.72E+04 1.37E+04 4.10E+04 5.60E+02 L-Cysteate 7.33E+04 9.89E+04 7.33E+04 8.71E+04 6.66E+04 7.15E+04 8.00E+04 6.67E+04 7.77E+04 7.79E+04 7.69E+04 1.12E+05 4.38E+04 7.83E+04 7.06E+04 5.57E+04 6.02E+04 9.06E+04 6.97E+04 9.13E+04 7.57E+04 9.57E+04 8.60E+04 8.90E+04 8.62E+04 7.63E+04 9.77E+04 6.21E+04 6.81E+04 9.82E+04 9.09E+04 1.26E+05 8.25E+04 7.76E+04 4.78E+04 4.81E+04 8.42E+04 1.32E+05 7.10E+04 5.93E+04 9.00E+04 7.87E+04 8.99E+04 4.45E+04 7.23E+04 1.16E+05 1.29E+05 9.22E+04 7.93E+04 9.23E+04 8.10E+04 8.85E+04 9.78E+04 6.85E+04 7.40E+04 6.30E+04 8.71E+04 4.96E+04 Indole-3-acetaldehyde 8.80E+05 1.00E+06 1.13E+06 6.49E+05 1.12E+06 7.44E+05 3.39E+05 4.52E+05 7.17E+05 1.25E+06 1.29E+06 1.36E+06 3.56E+05 9.76E+05 1.41E+06 3.67E+05 1.19E+06 5.77E+05 7.57E+05 8.81E+05 7.15E+05 8.31E+05 8.77E+05 6.75E+05 1.13E+06 6.60E+05 8.91E+05 1.12E+06 1.71E+06 7.24E+05 1.26E+06 8.90E+05 1.13E+06 9.79E+05 7.61E+05 1.33E+06 1.16E+06 7.33E+05 1.24E+06 5.13E+05 1.15E+06 1.06E+06 7.20E+05 1.25E+06 8.64E+05 7.55E+05 7.01E+05 8.41E+05 1.40E+06 9.57E+05 1.05E+06 8.70E+05 7.73E+05 7.62E+05 6.74E+05 8.95E+05 8.11E+05 4.90E+05 Indole-3-acetate 4.24E+05 5.17E+05 4.51E+05 3.20E+05 3.71E+05 3.96E+05 2.86E+05 2.90E+05 4.83E+05 5.37E+05 4.64E+05 4.56E+05 3.49E+05 3.61E+05 4.25E+05 4.68E+05 4.83E+05 4.67E+05 3.61E+05 2.89E+05 3.19E+05 3.44E+05 3.27E+05 4.43E+05 3.75E+05 2.95E+05 3.42E+05 3.83E+05 4.56E+05 4.92E+05 5.18E+05 4.16E+05 4.38E+05 4.29E+05 3.46E+05 4.58E+05 4.36E+05 3.04E+05 4.64E+05 4.43E+05 4.19E+05 4.20E+05 4.69E+05 4.94E+05 4.00E+05 4.35E+05 2.89E+05 3.52E+05 4.61E+05 5.26E+05 6.49E+05 4.45E+05 3.47E+05 4.19E+05 2.49E+05 3.97E+05 3.34E+05 3.19E+05 quinolinic acid 1.79E+05 1.52E+05 1.38E+05 9.63E+04 2.80E+05 2.49E+05 1.13E+05 2.15E+05 1.23E+05 1.52E+05 9.76E+04 8.51E+04 1.81E+04 1.21E+05 1.32E+05 5.36E+04 1.64E+05 9.81E+04 1.23E+05 9.00E+04 8.81E+04 1.41E+05 1.29E+05 1.35E+05 8.59E+04 1.25E+05 1.51E+05 5.44E+04 1.15E+05 7.78E+04 1.34E+05 1.11E+05 1.23E+05 1.77E+05 2.98E+05 1.83E+05 1.39E+05 2.57E+05 1.09E+05 9.35E+04 1.33E+05 1.44E+05 9.88E+04 1.10E+05 1.71E+05 9.56E+04 1.61E+05 1.17E+05 1.34E+05 1.13E+05 6.28E+04 1.10E+05 1.55E+05 1.49E+05 1.88E+05 9.94E+04 1.47E+05 8.32E+04 Picolinic acid 9.37E+04 8.11E+04 8.60E+04 7.66E+04 7.34E+04 1.12E+05 9.25E+04 1.04E+05 1.22E+05 1.39E+05 1.05E+05 1.45E+05 1.23E+05 8.43E+04 1.69E+05 6.35E+04 1.16E+05 1.03E+05 1.32E+05 1.00E+05 2.49E+05 1.39E+05 1.05E+05 9.15E+04 1.52E+05 1.03E+05 1.50E+05 1.43E+05 2.02E+05 1.70E+05 1.79E+05 2.46E+05 2.45E+05 1.68E+05 1.66E+05 1.26E+05 1.54E+05 1.48E+05 9.36E+04 9.34E+04 1.92E+05 1.45E+05 1.53E+05 1.37E+05 1.43E+05 1.13E+05 1.04E+05 1.08E+05 1.68E+05 1.49E+05 3.28E+05 1.84E+05 2.62E+05 1.21E+05 1.20E+05 2.54E+05 1.67E+05 1.85E+05 3D-(3-5/4)-Trihydroxycyclohexane-1-2-dione 3.79E+05 4.36E+05 4.59E+05 3.22E+05 3.51E+05 4.67E+05 2.79E+05 4.38E+05 3.45E+05 4.18E+05 4.74E+05 5.34E+05 1.22E+05 4.21E+05 4.93E+05 2.74E+05 4.71E+05 3.88E+05 4.79E+05 3.50E+05 3.50E+05 3.45E+05 4.46E+05 3.44E+05 4.48E+05 4.80E+05 4.19E+05 3.53E+05 4.33E+05 2.66E+05 3.68E+05 4.08E+05 3.90E+05 4.79E+05 1.37E+05 3.31E+05 4.30E+05 4.24E+05 4.37E+05 2.71E+05 4.46E+05 3.40E+05 4.96E+05 2.61E+05 3.58E+05 3.89E+05 4.18E+05 3.95E+05 4.18E+05 4.24E+05 2.29E+05 3.91E+05 3.30E+05 4.00E+05 4.38E+05 2.85E+05 3.38E+05 1.13E+05 Glycerol 3-phosphate 1.37E+07 1.22E+07 1.60E+07 1.55E+07 1.66E+07 1.27E+07 1.11E+07 1.35E+07 1.73E+07 9.85E+06 6.81E+06 1.91E+07 1.55E+06 9.72E+06 7.14E+06 5.77E+06 5.41E+06 5.62E+06 9.74E+06 6.54E+06 8.66E+06 1.12E+07 1.41E+07 1.28E+07 1.07E+07 6.83E+06 1.16E+07 1.38E+07 8.74E+06 1.09E+07 1.66E+07 8.66E+06 9.26E+06 1.61E+07 8.90E+06 1.40E+07 1.34E+07 9.97E+06 1.17E+07 5.14E+06 1.12E+07 1.90E+07 7.29E+06 1.58E+07 9.33E+06 6.69E+06 1.70E+07 1.02E+07 9.39E+06 1.23E+07 9.83E+06 1.05E+07 8.27E+06 1.21E+07 1.33E+07 6.29E+06 6.67E+06 1.00E+07 Ethanolamine phosphate 6.74E+05 5.20E+05 5.03E+05 3.11E+05 3.63E+05 5.95E+05 4.26E+05 5.81E+05 3.70E+05 2.60E+05 2.67E+05 2.70E+05 2.60E+05 2.41E+05 2.32E+05 5.76E+05 2.70E+05 3.81E+05 2.71E+05 1.47E+05 2.19E+05 2.39E+05 1.97E+05 3.70E+05 1.60E+05 1.62E+05 2.43E+05 1.66E+05 2.58E+05 2.57E+05 2.31E+05 1.17E+05 1.55E+05 2.07E+05 1.91E+05 1.65E+05 1.87E+05 1.38E+05 2.03E+05 4.39E+05 1.89E+05 1.96E+05 2.38E+05 2.65E+05 1.85E+05 3.19E+05 1.89E+05 1.56E+05 1.92E+05 2.71E+05 2.90E+05 2.11E+05 1.24E+05 2.76E+05 1.67E+05 1.49E+05 1.63E+05 2.82E+05 Sphingosine 1-phosphate 1.60E+05 9.41E+04 1.20E+05 1.53E+05 1.37E+05 7.68E+04 1.22E+05 1.44E+05 1.30E+05 1.13E+05 1.45E+05 1.32E+05 1.24E+05 1.38E+05 1.80E+05 1.17E+05 1.89E+05 1.12E+05 1.32E+05 9.16E+04 1.77E+05 1.52E+05 1.38E+05 1.19E+05 1.62E+05 1.17E+05 1.63E+05 2.52E+05 8.32E+04 8.71E+04 1.32E+05 1.75E+05 1.55E+05 1.16E+05 1.94E+05 1.60E+05 9.65E+04 1.22E+05 1.11E+05 8.96E+04 1.53E+05 1.57E+05 7.83E+04 1.35E+05 1.00E+05 1.34E+05 2.02E+05 8.68E+04 1.30E+05 8.50E+04 1.41E+05 1.02E+05 1.42E+05 1.44E+05 1.52E+05 1.98E+05 1.90E+05 1.43E+05 Hexanoic acid (caproate) 1.03E+06 1.07E+06 1.02E+06 7.69E+05 1.48E+06 8.02E+05 5.19E+05 1.02E+06 9.10E+05 1.22E+06 3.03E+05 9.83E+05 1.92E+05 1.07E+06 1.18E+06 4.36E+05 3.84E+05 6.11E+05 1.53E+06 1.14E+06 1.42E+06 1.25E+06 1.26E+06 8.10E+05 1.12E+06 1.01E+06 1.26E+06 1.13E+06 1.09E+06 6.63E+05 4.59E+05 1.36E+06 5.96E+05 1.05E+06 1.24E+06 1.14E+06 9.68E+05 1.09E+06 4.03E+05 3.72E+05 1.23E+06 9.14E+05 7.29E+05 8.17E+05 1.42E+06 7.19E+05 1.38E+06 9.62E+05 1.28E+06 8.71E+05 7.91E+05 8.54E+05 1.13E+06 8.65E+05 1.64E+06 1.33E+06 1.12E+06 1.09E+06 Heptanoic acid 1.38E+05 1.07E+05 1.23E+05 1.05E+05 1.96E+05 1.05E+05 7.13E+04 1.06E+05 1.20E+05 1.92E+05 5.73E+04 1.25E+05 4.73E+04 1.47E+05 2.21E+05 5.21E+04 1.76E+05 9.66E+04 1.85E+05 1.58E+05 1.93E+05 1.61E+05 8.85E+04 1.10E+05 1.62E+05 1.21E+05 1.78E+05 2.05E+05 1.96E+05 9.90E+04 1.84E+05 1.69E+05 1.55E+05 1.95E+05 1.51E+05 2.22E+05 1.67E+05 1.62E+05 1.65E+05 7.93E+04 1.78E+05 1.29E+05 8.90E+04 1.20E+05 1.85E+05 1.00E+05 1.86E+05 1.56E+05 1.84E+05 1.04E+05 1.12E+05 1.25E+05 1.37E+05 1.44E+05 1.69E+05 1.90E+05 1.60E+05 1.31E+05 Octanoic acid (caprylic acid) 8.80E+04 8.25E+04 8.47E+04 6.38E+04 1.16E+05 7.94E+04 5.46E+04 7.64E+04 7.96E+04 8.78E+04 3.00E+04 8.91E+04 3.94E+04 8.46E+04 9.28E+04 4.77E+04 4.06E+04 5.72E+04 1.28E+05 8.41E+04 1.14E+05 9.60E+04 8.93E+04 7.46E+04 8.63E+04 8.76E+04 8.83E+04 9.70E+04 8.01E+04 5.33E+04 4.47E+04 1.01E+05 6.50E+04 8.50E+04 8.05E+04 7.33E+04 7.78E+04 7.44E+04 3.78E+04 4.83E+04 8.82E+04 7.95E+04 5.98E+04 7.41E+04 1.01E+05 7.09E+04 7.99E+04 7.36E+04 7.75E+04 7.33E+04 7.00E+04 7.46E+04 8.07E+04 7.67E+04 1.03E+05 1.01E+05 1.04E+05 8.62E+04 Nonanoic acid (pelargonic acid) 2.77E+05 3.46E+05 3.47E+05 3.23E+05 3.62E+05 3.98E+05 2.85E+05 4.02E+05 3.57E+05 3.75E+05 3.44E+05 4.07E+05 3.39E+05 3.96E+05 4.12E+05 3.01E+05 3.96E+05 2.62E+05 3.47E+05 2.98E+05 3.83E+05 2.73E+05 4.86E+05 2.69E+05 3.56E+05 3.19E+05 3.66E+05 4.05E+05 3.20E+05 2.54E+05 3.19E+05 3.88E+05 3.51E+05 4.37E+05 4.09E+05 3.87E+05 3.32E+05 3.86E+05 3.30E+05 3.03E+05 3.34E+05 3.53E+05 3.50E+05 3.10E+05 4.28E+05 3.61E+05 3.68E+05 3.72E+05 3.81E+05 3.10E+05 3.95E+05 3.34E+05 4.81E+05 3.45E+05 4.45E+05 3.46E+05 3.77E+05 2.92E+05 Decanoic acid (capric acid) 5.78E+04 4.48E+04 5.13E+04 4.87E+04 5.03E+04 4.38E+04 3.90E+04 4.34E+04 5.36E+04 5.44E+04 5.48E+04 5.77E+04 4.04E+04 5.12E+04 5.97E+04 3.63E+04 5.85E+04 5.17E+04 5.16E+04 5.17E+04 5.30E+04 5.91E+04 5.82E+04 4.28E+04 4.98E+04 4.59E+04 4.86E+04 6.43E+04 6.06E+04 4.37E+04 6.36E+04 6.28E+04 6.23E+04 5.43E+04 7.13E+04 5.69E+04 5.72E+04 5.73E+04 5.51E+04 3.36E+04 5.68E+04 4.90E+04 6.16E+04 4.66E+04 5.61E+04 4.29E+04 5.14E+04 5.39E+04 5.12E+04 5.51E+04 4.19E+04 4.46E+04 5.85E+04 5.07E+04 5.66E+04 6.43E+04 5.86E+04 5.55E+04 Dodecanoic acid (lauric acid) 5.07E+04 5.49E+04 7.21E+04 5.35E+04 5.51E+04 5.13E+04 3.87E+04 4.30E+04 5.76E+04 4.60E+04 5.28E+04 7.40E+04 3.28E+04 5.56E+04 8.04E+04 2.19E+04 6.49E+04 7.52E+04 5.03E+04 4.15E+04 5.65E+04 4.86E+04 5.94E+04 5.25E+04 3.63E+04 4.90E+04 5.88E+04 5.65E+04 5.62E+04 4.82E+04 6.49E+04 5.25E+04 6.49E+04 4.65E+04 8.18E+04 7.65E+04 4.62E+04 6.58E+04 7.84E+04 4.61E+04 5.17E+04 5.85E+04 4.73E+04 5.02E+04 6.12E+04 3.92E+04 5.63E+04 7.41E+04 7.15E+04 4.61E+04 7.67E+04 4.51E+04 5.52E+04 4.32E+04 6.65E+04 5.17E+04 5.27E+04 1.25E+05 Tetradecanoic acid (myristic acid) 7.91E+05 4.83E+05 5.91E+05 3.58E+05 7.80E+05 5.59E+05 4.39E+05 4.33E+05 6.46E+05 5.03E+05 5.12E+05 6.26E+05 2.09E+05 5.95E+05 7.23E+05 1.97E+05 9.90E+05 5.05E+05 4.00E+05 4.86E+05 5.63E+05 6.67E+05 5.70E+05 3.97E+05 2.50E+05 4.94E+05 6.03E+05 7.25E+05 5.91E+05 3.29E+05 6.37E+05 6.02E+05 9.30E+05 6.72E+05 9.33E+05 9.09E+05 6.22E+05 1.09E+06 6.95E+05 2.89E+05 5.81E+05 6.24E+05 4.96E+05 2.44E+05 4.38E+05 3.41E+05 6.67E+05 6.65E+05 4.79E+05 4.13E+05 4.68E+05 4.51E+05 6.25E+05 3.49E+05 6.16E+05 4.45E+05 6.38E+05 1.09E+06 Hexadecanoic acid (palmitic acid) 2.55E+07 1.58E+07 1.71E+07 1.10E+07 3.07E+07 2.88E+07 2.34E+07 2.00E+07 3.22E+07 2.40E+07 1.69E+07 2.02E+07 9.33E+06 2.62E+07 3.31E+07 4.76E+06 2.95E+07 1.85E+07 2.41E+07 2.15E+07 2.41E+07 2.12E+07 1.78E+07 1.98E+07 1.19E+07 2.44E+07 2.55E+07 2.51E+07 2.46E+07 1.49E+07 2.77E+07 2.93E+07 2.92E+07 3.17E+07 3.30E+07 3.60E+07 3.63E+07 3.51E+07 3.06E+07 1.28E+07 2.64E+07 2.29E+07 2.16E+07 1.20E+07 1.86E+07 1.82E+07 2.83E+07 2.47E+07 2.19E+07 1.82E+07 1.69E+07 1.70E+07 2.60E+07 2.09E+07 2.73E+07 2.50E+07 2.88E+07 3.09E+07 Octadecanoic acid (stearic acid) 1.36E+07 1.68E+07 1.83E+07 1.28E+07 9.43E+06 7.75E+06 3.18E+06 6.18E+06 1.05E+07 1.53E+07 2.13E+07 1.86E+07 2.54E+06 1.60E+07 2.27E+07 6.71E+06 2.00E+07 7.27E+06 9.60E+06 5.56E+06 8.34E+06 6.39E+06 1.93E+07 6.76E+06 1.83E+07 4.65E+06 1.14E+07 1.23E+07 1.15E+07 1.88E+07 1.86E+07 9.04E+06 1.62E+07 1.59E+07 1.44E+07 1.80E+07 1.21E+07 8.30E+06 1.08E+07 2.72E+06 1.86E+07 6.85E+06 2.84E+06 1.76E+07 2.03E+07 1.25E+07 1.27E+07 3.52E+06 1.23E+07 8.46E+06 1.14E+07 9.40E+06 6.12E+06 1.01E+07 1.43E+07 1.53E+07 1.08E+07 1.70E+07 Tetradecenoic acid (myristoleic acid) 7.65E+04 5.55E+04 5.26E+04 4.11E+04 5.44E+04 5.13E+04 3.14E+04 4.17E+04 7.95E+04 5.60E+04 5.62E+04 1.03E+05 1.33E+04 5.58E+04 6.35E+04 1.61E+04 1.11E+05 4.42E+04 8.45E+04 6.22E+04 5.74E+04 8.83E+04 9.83E+04 6.45E+04 4.74E+04 6.69E+04 8.32E+04 1.58E+05 6.03E+04 4.19E+04 8.87E+04 5.90E+04 1.66E+05 9.97E+04 2.56E+05 1.36E+05 8.16E+04 8.64E+04 1.09E+05 3.33E+04 1.08E+05 4.93E+04 4.38E+04 4.71E+04 9.18E+04 3.98E+04 7.92E+04 1.07E+05 5.30E+04 5.12E+04 5.07E+04 6.52E+04 5.96E+04 6.74E+04 1.24E+05 7.90E+04 8.61E+04 3.25E+05 Hexadecenoic acid (Palmitoleic acid) 5.28E+06 3.70E+06 3.92E+06 2.32E+06 6.16E+06 5.89E+06 2.92E+06 4.61E+06 6.92E+06 3.12E+06 3.44E+06 5.69E+06 7.46E+05 4.97E+06 6.31E+06 1.17E+06 8.65E+06 4.00E+06 2.39E+06 3.52E+06 3.12E+06 5.57E+06 4.31E+06 3.41E+06 2.51E+06 5.50E+06 5.68E+06 5.41E+06 2.86E+06 2.94E+06 4.88E+06 3.65E+06 7.15E+06 5.87E+06 6.92E+06 8.70E+06 7.14E+06 8.77E+06 6.13E+06 1.87E+06 4.72E+06 2.78E+06 2.89E+06 1.70E+06 3.93E+06 2.12E+06 4.50E+06 5.23E+06 3.42E+06 1.71E+06 2.96E+06 2.44E+06 4.08E+06 3.70E+06 5.52E+06 3.80E+06 5.87E+06 1.01E+07 Octadecenoic acid (Oleic acid) 3.23E+07 2.15E+07 1.96E+07 1.39E+07 4.64E+07 3.59E+07 2.62E+07 2.65E+07 3.88E+07 2.68E+07 2.24E+07 2.18E+07 8.01E+06 4.31E+07 3.76E+07 6.52E+06 4.36E+07 2.40E+07 2.79E+07 2.86E+07 3.24E+07 2.87E+07 2.23E+07 2.03E+07 1.95E+07 2.95E+07 3.14E+07 3.29E+07 3.00E+07 2.13E+07 3.75E+07 3.49E+07 4.69E+07 4.71E+07 4.78E+07 4.61E+07 3.99E+07 4.81E+07 3.63E+07 1.50E+07 3.36E+07 3.24E+07 2.64E+07 1.11E+07 2.53E+07 2.64E+07 4.41E+07 3.07E+07 2.52E+07 1.86E+07 2.15E+07 2.30E+07 3.14E+07 2.76E+07 3.51E+07 3.29E+07 3.80E+07 6.35E+07 Linoleic acid ((9Z,12Z)-Octadecadienoic acid) 5.09E+07 3.16E+07 3.61E+07 2.50E+07 6.41E+07 3.74E+07 2.96E+07 2.57E+07 4.45E+07 4.37E+07 3.78E+07 3.72E+07 1.37E+07 4.47E+07 5.09E+07 9.98E+06 5.86E+07 2.52E+07 3.91E+07 4.34E+07 4.76E+07 3.99E+07 3.20E+07 2.09E+07 2.27E+07 3.58E+07 3.87E+07 3.47E+07 4.85E+07 2.78E+07 5.30E+07 4.44E+07 6.39E+07 4.25E+07 4.55E+07 4.91E+07 5.62E+07 7.00E+07 5.77E+07 2.12E+07 4.29E+07 5.49E+07 3.93E+07 1.56E+07 2.78E+07 3.13E+07 6.40E+07 3.60E+07 4.43E+07 2.57E+07 2.28E+07 3.53E+07 4.62E+07 2.85E+07 4.15E+07 2.75E+07 3.52E+07 5.12E+07 a-Linolenic acid (Octadecatrienoic acid) 4.00E+06 3.33E+06 4.55E+06 2.91E+06 4.89E+06 2.94E+06 2.60E+06 1.87E+06 3.17E+06 2.79E+06 4.97E+06 3.30E+06 1.03E+06 3.61E+06 4.16E+06 9.46E+05 5.31E+06 2.99E+06 2.25E+06 2.60E+06 4.04E+06 3.66E+06 2.79E+06 1.78E+06 1.28E+06 2.56E+06 2.47E+06 1.90E+06 3.42E+06 2.70E+06 4.42E+06 3.84E+06 5.14E+06 2.69E+06 2.67E+06 3.31E+06 4.21E+06 6.82E+06 5.01E+06 1.67E+06 3.13E+06 4.51E+06 4.29E+06 1.21E+06 2.57E+06 1.61E+06 4.26E+06 2.81E+06 3.19E+06 1.67E+06 1.49E+06 2.95E+06 4.25E+06 1.67E+06 2.26E+06 1.52E+06 2.50E+06 2.81E+06 Arachidonic acid (Eicosatetraenoic acid) 1.07E+07 7.24E+06 8.05E+06 4.94E+06 1.01E+07 5.61E+06 4.98E+06 6.19E+06 7.11E+06 1.17E+07 9.23E+06 9.21E+06 3.24E+06 1.34E+07 1.29E+07 3.31E+06 1.36E+07 6.61E+06 1.04E+07 1.34E+07 1.31E+07 9.69E+06 1.13E+07 7.03E+06 1.16E+07 1.00E+07 1.07E+07 1.22E+07 1.11E+07 6.44E+06 1.24E+07 1.20E+07 9.05E+06 1.55E+07 6.84E+06 1.22E+07 1.10E+07 1.37E+07 1.48E+07 3.35E+06 1.13E+07 8.66E+06 6.61E+06 6.55E+06 1.09E+07 9.43E+06 1.80E+07 1.01E+07 1.25E+07 7.86E+06 4.66E+06 6.73E+06 1.24E+07 8.23E+06 1.21E+07 8.66E+06 8.82E+06 2.93E+06 Stearidonic acid ((6Z,9Z,12Z,15Z)-Octadecatetraenoic acid) 2.44E+05 2.96E+05 3.36E+05 2.09E+05 3.92E+05 2.71E+05 1.75E+05 1.43E+05 2.52E+05 2.19E+05 2.89E+05 1.77E+05 4.40E+04 2.01E+05 2.26E+05 6.74E+04 2.90E+05 1.64E+05 1.72E+05 1.50E+05 1.84E+05 1.93E+05 2.10E+05 1.29E+05 9.09E+04 1.48E+05 1.62E+05 7.15E+04 1.99E+05 1.71E+05 2.39E+05 2.11E+05 2.20E+05 1.63E+05 2.49E+05 2.43E+05 2.10E+05 4.10E+05 2.87E+05 1.13E+05 1.45E+05 2.25E+05 2.02E+05 7.67E+04 1.56E+05 8.05E+04 2.09E+05 1.30E+05 1.55E+05 6.77E+04 8.93E+04 1.34E+05 1.85E+05 9.11E+04 1.29E+05 1.01E+05 1.40E+05 1.55E+05 Docosahexaenoic acid 8.23E+06 5.35E+06 5.80E+06 4.36E+06 9.63E+06 6.33E+06 3.85E+06 6.20E+06 8.70E+06 8.00E+06 8.75E+06 1.05E+07 1.83E+06 1.11E+07 1.05E+07 2.34E+06 9.69E+06 4.38E+06 1.08E+07 1.00E+07 8.11E+06 9.09E+06 7.51E+06 7.27E+06 7.08E+06 8.70E+06 8.25E+06 7.17E+06 8.17E+06 6.28E+06 1.25E+07 9.07E+06 9.07E+06 1.28E+07 7.61E+06 9.27E+06 1.00E+07 1.29E+07 1.08E+07 3.85E+06 1.02E+07 6.70E+06 5.31E+06 4.34E+06 8.95E+06 5.92E+06 1.17E+07 7.08E+06 8.73E+06 5.42E+06 4.10E+06 5.39E+06 7.45E+06 6.23E+06 8.31E+06 6.78E+06 6.34E+06 3.45E+06 Adrenic acid (7,10,13,16-Docosatetraenoic acid) 2.25E+05 1.91E+05 1.76E+05 1.28E+05 3.25E+05 1.98E+05 1.38E+05 1.60E+05 2.44E+05 2.05E+05 1.99E+05 2.18E+05 4.51E+04 2.94E+05 2.66E+05 5.72E+04 3.00E+05 1.29E+05 2.99E+05 3.13E+05 2.34E+05 2.37E+05 2.04E+05 1.67E+05 2.57E+05 2.35E+05 2.66E+05 2.22E+05 2.45E+05 2.30E+05 3.05E+05 3.32E+05 2.67E+05 3.53E+05 2.78E+05 3.58E+05 2.74E+05 4.39E+05 3.59E+05 1.25E+05 2.86E+05 2.37E+05 2.26E+05 1.53E+05 1.89E+05 1.77E+05 3.26E+05 2.43E+05 2.61E+05 2.11E+05 1.79E+05 1.76E+05 2.72E+05 1.91E+05 2.77E+05 2.58E+05 2.45E+05 1.50E+05 Eicosapentaenoic acid 2.67E+06 2.40E+06 2.97E+06 1.62E+06 3.35E+06 2.51E+06 1.46E+06 1.87E+06 2.11E+06 2.92E+06 2.52E+06 2.55E+06 8.14E+05 2.64E+06 3.37E+06 9.07E+05 2.80E+06 1.56E+06 2.56E+06 2.16E+06 2.47E+06 2.90E+06 2.67E+06 1.77E+06 1.51E+06 2.66E+06 2.66E+06 1.29E+06 2.65E+06 1.45E+06 2.13E+06 2.33E+06 2.40E+06 2.32E+06 2.21E+06 2.89E+06 2.96E+06 3.95E+06 2.87E+06 9.84E+05 1.94E+06 2.34E+06 1.77E+06 1.44E+06 2.10E+06 1.07E+06 2.88E+06 1.25E+06 1.70E+06 9.63E+05 9.21E+05 1.46E+06 2.20E+06 1.67E+06 1.64E+06 1.30E+06 1.75E+06 5.75E+05 Dihomo-gamma-linolenic acid ((8Z-11Z-14Z)-Icosatrienoic acid) 1.13E+06 7.26E+05 7.34E+05 5.29E+05 1.45E+06 9.25E+05 6.23E+05 7.94E+05 1.23E+06 1.12E+06 9.67E+05 1.12E+06 3.32E+05 1.22E+06 1.41E+06 2.59E+05 1.19E+06 5.22E+05 1.22E+06 1.09E+06 1.09E+06 9.13E+05 7.85E+05 7.51E+05 8.43E+05 1.00E+06 9.00E+05 6.34E+05 1.17E+06 1.05E+06 1.45E+06 1.20E+06 1.17E+06 1.65E+06 5.04E+05 1.40E+06 1.34E+06 1.65E+06 1.75E+06 5.37E+05 1.17E+06 8.01E+05 7.31E+05 5.72E+05 1.12E+06 6.86E+05 1.37E+06 7.57E+05 9.15E+05 7.77E+05 5.23E+05 7.56E+05 9.69E+05 1.09E+06 1.02E+06 7.65E+05 7.87E+05 3.67E+05 Docosapentaenoic acid ((7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaenoic acid) 1.15E+06 9.14E+05 7.92E+05 5.15E+05 1.85E+06 1.33E+06 7.24E+05 9.12E+05 1.10E+06 8.90E+05 9.20E+05 1.56E+06 1.89E+05 1.52E+06 1.41E+06 4.16E+05 1.46E+06 6.28E+05 9.90E+05 1.09E+06 9.34E+05 1.19E+06 8.69E+05 8.40E+05 8.61E+05 1.50E+06 1.20E+06 4.83E+05 1.05E+06 7.31E+05 9.43E+05 1.07E+06 1.12E+06 1.40E+06 1.02E+06 1.33E+06 1.36E+06 2.10E+06 1.14E+06 4.57E+05 1.02E+06 7.18E+05 6.58E+05 4.45E+05 1.06E+06 6.33E+05 1.35E+06 6.43E+05 7.22E+05 6.04E+05 5.03E+05 5.43E+05 7.94E+05 9.70E+05 9.89E+05 7.11E+05 9.05E+05 5.24E+05 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name KEGG ID parent medRt ATP C00002 505.9883 0.61 ADP C00008 426.0228 0.59 AMP C00020 346.0561 0.66 dAMP C00360 330.0573 0.68 Adenine C00147 134.0460 1.70 GTP C00044 521.9836 0.59 GDP C00035 442.0175 0.59 GMP C00144 362.0509 0.65 CMP C00055 322.0472 1.75 Thymidine C00214 241.0813 0.66 UTP C00075 482.9609 0.57 UMP C00105 323.0288 0.63 Uracil C00106 111.0186 0.66 ITP C00081 506.9714 0.57 (S)(+)-Allantoin C02350 157.0358 0.67 Urate C00366 167.0213 0.64 Pyridoxal C00250 166.0501 1.73 4-Pyridoxate C00847 182.0453 0.68 UDP-glucose C00029 565.0480 0.58 ADP-D-ribose C01882 558.0646 0.57 Diphosphate C00013 176.9349 0.61 D-Glucose C00031 179.0554 0.66 D-Glucose 6/1-phosphate C02965 259.0224 0.60 D-Fructose 1-6-bisphosphate C00354 338.9885 0.56 D-Glyceraldehyde 3-phosphate/Glycerone phosphate C00118 168.9897 0.61 1/2-3-Bisphosphoglycerate C00236 264.9519 0.55 2/3-Phospho-D-glycerate C00631 184.9848 0.58 Phosphoenolpyruvate C00074 166.9741 0.56 Pyruvate C00022 87.0073 0.66 Lactate C01432 89.0230 0.65 Mannitol/Sorbitol C00392/C00794 181.0712 0.66 D-Ribose C00121 149.0446 0.68 D-Rhamnose C01684 163.0603 0.67 D-Arabitol C01904 151.0601 0.67 Citrate C00158 191.0188 0.62 2-Oxoglutarate C00026 145.0132 0.61 2-Oxoglutaramate C00940 144.0291 0.64 Succinate C00042 117.0180 0.62 Fumarate C00122 115.0024 0.59 Malate C00149 133.0130 0.59 Oxaloacetate C00036 131.0003 0.64 2-Hydroxyglutarate/Citramalate C02630 147.0289 0.61 6-Phospho-D-gluconate C00345 275.0175 0.57 D-Glucono-1-5-lactone 6-phosphate C01236 257.0068 0.60 D-Erythrose 4-phosphate C00279 199.0007 0.58 Sedoheptulose 1/7-phosphate C06222 289.0331 0.61 alpha-D-Ribose 1-phosphate C00620 229.0116 0.61 Glutathione C00051 306.0765 0.60 Ascorbate C00072 175.0240 0.65 Dehydroascorbate C05422 173.0083 0.59 gamma-L-Glutamyl-L-cysteine C00669 249.0523 1.72 gamma-L-Glutamyl-D-alanine C03738 217.0826 0.62 (5-L-Glutamyl)-L-glutamine C05283 274.1046 0.61 3-Phosphonooxypyruvate C03232 182.9690 0.58 Tetrahydrofolate C00101 444.1602 1.74 N-Acetylneuraminate C00270 308.0989 0.62 N-Glycoloyl-neuraminate C03410 324.0938 0.62 alpha-D-Glucosamine 1-phosphate C06156 258.0384 0.61 UDP-N-acetyl-D-glucosamine C00043 606.0744 0.59 CMP-N-acetylneuraminate C00128 613.1409 0.57 Phosphocreatine C02305 210.0280 0.58 N-Succinyl-L-glutamate 5-semialdehyde C05932 230.0645 0.65 3-Sulfino-L-alanine C00606 152.0012 0.64 3-Sulfocatechol C06336 188.9854 1.52 L-Cysteate C00506 167.9962 0.61 Indole-3-acetaldehyde C00637 158.0600 1.97 Indole-3-acetate C00954 174.0550 1.84 quinolinic acid C03722 166.0161 0.66 Picolinic acid C10164 122.0235 1.72 3D-(3-5/4)-Trihydroxycyclohexane-1-2-dione C04287 159.0289 0.66 Glycerol 3-phosphate C00093 171.0055 0.61 Ethanolamine phosphate C00346 140.0107 0.62 Sphingosine 1-phosphate C06124 378.2417 3.88 Hexanoic acid (caproate) C01585 115.0752 1.77 Heptanoic acid C17714 129.0909 1.81 Octanoic acid (caprylic acid) C06423 143.1065 1.73 Nonanoic acid (pelargonic acid) C01601 157.1222 2.12 Decanoic acid (capric acid) C01571 171.1383 2.21 Dodecanoic acid (lauric acid) C02679 199.1698 2.40 Tetradecanoic acid (myristic acid) C06424 227.2012 2.67 Hexadecanoic acid (palmitic acid) C00249 255.2328 3.09 Octadecanoic acid (stearic acid) C01530 283.2643 3.72 Tetradecenoic acid (myristoleic acid) C08322 225.1856 2.46 Hexadecenoic acid (Palmitoleic acid) C08362 253.2171 2.71 Octadecenoic acid (Oleic acid) C00712 281.2486 3.13 Linoleic acid ((9Z,12Z)-Octadecadienoic acid) C01595 279.2330 2.77 a-Linolenic acid (Octadecatrienoic acid) C06427 277.2174 2.54 Arachidonic acid (Eicosatetraenoic acid) C00219 303.2331 2.66 Stearidonic acid ((6Z,9Z,12Z,15Z)-Octadecatetraenoic acid) C16300 275.2018 2.40 Docosahexaenoic acid C06429 327.2331 2.56 Adrenic acid (7,10,13,16-Docosatetraenoic acid) C16527 331.2644 2.96 Eicosapentaenoic acid C06428 301.2174 2.47 Dihomo-gamma-linolenic acid ((8Z-11Z-14Z)-Icosatrienoic acid) C03242 305.2487 2.86 Docosapentaenoic acid ((7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaenoic acid) C16513 329.2487 2.68 METABOLITES_END #END