#METABOLOMICS WORKBENCH eallman_20200525_112201 DATATRACK_ID:2020 STUDY_ID:ST001384 ANALYSIS_ID:AN002309 PROJECT_ID:PR000948 VERSION 1 CREATED_ON May 26, 2020, 10:06 am #PROJECT PR:PROJECT_TITLE Plasmodium falciparum increased time in circulation underlies persistent PR:PROJECT_TITLE asymptomatic infection in the dry season PR:PROJECT_SUMMARY The dry season is a major challenge for Plasmodium falciparum parasites in many PR:PROJECT_SUMMARY malaria endemic regions, where water availability limits mosquitoes to only part PR:PROJECT_SUMMARY of the year. How P. falciparum bridges two transmission seasons months apart, PR:PROJECT_SUMMARY without being cleared by the host or compromising host survival is poorly PR:PROJECT_SUMMARY understood. Here we show that low levels of P. falciparum parasites persist in PR:PROJECT_SUMMARY the blood of asymptomatic Malian individuals during the 5- to 6-month dry PR:PROJECT_SUMMARY season, rarely causing symptoms and minimally affecting the host immune PR:PROJECT_SUMMARY response. Parasites isolated during the dry season are transcriptionally PR:PROJECT_SUMMARY distinct from those of subjects with febrile malaria in the transmission season, PR:PROJECT_SUMMARY reflecting longer circulation within each replicative cycle, of parasitized PR:PROJECT_SUMMARY erythrocytes without adhering to the vascular endothelium. Low parasite levels PR:PROJECT_SUMMARY during the dry season are not due to impaired replication, but rather increased PR:PROJECT_SUMMARY splenic clearance of longer-circulating infected erythrocytes. We propose that PR:PROJECT_SUMMARY P. falciparum virulence in areas of seasonal malaria transmission is regulated PR:PROJECT_SUMMARY so that the parasite decreases its endothelial binding capacity, allowing PR:PROJECT_SUMMARY increased splenic clearance and enabling several months of subclinical parasite PR:PROJECT_SUMMARY persistence. PR:INSTITUTE Penn State PR:LAST_NAME Llinas PR:FIRST_NAME Manuel PR:ADDRESS W126 Millennium Science Complex, University Park, PENNSYLVANIA, 16802, USA PR:EMAIL manuel@psu.edu PR:PHONE (814) 867-3527 #STUDY ST:STUDY_TITLE Plasmodium falciparum increased time in circulation underlies persistent ST:STUDY_TITLE asymptomatic infection in the dry season ST:STUDY_SUMMARY The dry season is a major challenge for Plasmodium falciparum parasites in many ST:STUDY_SUMMARY malaria endemic regions, where water availability limits mosquitoes to only part ST:STUDY_SUMMARY of the year. How P. falciparum bridges two transmission seasons months apart, ST:STUDY_SUMMARY without being cleared by the host or compromising host survival is poorly ST:STUDY_SUMMARY understood. Here we show that low levels of P. falciparum parasites persist in ST:STUDY_SUMMARY the blood of asymptomatic Malian individuals during the 5- to 6-month dry ST:STUDY_SUMMARY season, rarely causing symptoms and minimally affecting the host immune ST:STUDY_SUMMARY response. Parasites isolated during the dry season are transcriptionally ST:STUDY_SUMMARY distinct from those of subjects with febrile malaria in the transmission season, ST:STUDY_SUMMARY reflecting longer circulation within each replicative cycle, of parasitized ST:STUDY_SUMMARY erythrocytes without adhering to the vascular endothelium. Low parasite levels ST:STUDY_SUMMARY during the dry season are not due to impaired replication, but rather increased ST:STUDY_SUMMARY splenic clearance of longer-circulating infected erythrocytes. We propose that ST:STUDY_SUMMARY P. falciparum virulence in areas of seasonal malaria transmission is regulated ST:STUDY_SUMMARY so that the parasite decreases its endothelial binding capacity, allowing ST:STUDY_SUMMARY increased splenic clearance and enabling several months of subclinical parasite ST:STUDY_SUMMARY persistence. ST:INSTITUTE Penn State ST:LAST_NAME Llinas ST:FIRST_NAME Manuel ST:ADDRESS W126 Millennium Science Complex, University Park, PENNSYLVANIA, 16802, USA ST:EMAIL manuel@psu.edu ST:PHONE (814) 867-3527 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #FACTORS #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - a244 Genotype:May RAW_FILE_NAME=a244 SUBJECT_SAMPLE_FACTORS - a308 Genotype:May RAW_FILE_NAME=a308 SUBJECT_SAMPLE_FACTORS - a320 Genotype:May RAW_FILE_NAME=a320 SUBJECT_SAMPLE_FACTORS - a325 Genotype:May RAW_FILE_NAME=a325 SUBJECT_SAMPLE_FACTORS - a326 Genotype:May RAW_FILE_NAME=a326 SUBJECT_SAMPLE_FACTORS - a334 Genotype:May RAW_FILE_NAME=a334 SUBJECT_SAMPLE_FACTORS - a351 Genotype:May RAW_FILE_NAME=a351 SUBJECT_SAMPLE_FACTORS - a355 Genotype:May RAW_FILE_NAME=a355 SUBJECT_SAMPLE_FACTORS - a357 Genotype:May RAW_FILE_NAME=a357 SUBJECT_SAMPLE_FACTORS - a373 Genotype:May RAW_FILE_NAME=a373 SUBJECT_SAMPLE_FACTORS - a388 Genotype:May RAW_FILE_NAME=a388 SUBJECT_SAMPLE_FACTORS - a448 Genotype:May RAW_FILE_NAME=a448 SUBJECT_SAMPLE_FACTORS - b161 Genotype:MAL RAW_FILE_NAME=b161 SUBJECT_SAMPLE_FACTORS - b170 Genotype:MAL RAW_FILE_NAME=b170 SUBJECT_SAMPLE_FACTORS - b224 Genotype:MAL RAW_FILE_NAME=b224 SUBJECT_SAMPLE_FACTORS - b262 Genotype:MAL RAW_FILE_NAME=b262 SUBJECT_SAMPLE_FACTORS - b322 Genotype:MAL RAW_FILE_NAME=b322 SUBJECT_SAMPLE_FACTORS - b332 Genotype:MAL RAW_FILE_NAME=b332 SUBJECT_SAMPLE_FACTORS - b371 Genotype:MAL RAW_FILE_NAME=b371 SUBJECT_SAMPLE_FACTORS - b385 Genotype:MAL RAW_FILE_NAME=b385 SUBJECT_SAMPLE_FACTORS - b391 Genotype:MAL RAW_FILE_NAME=b391 SUBJECT_SAMPLE_FACTORS - b400 Genotype:MAL RAW_FILE_NAME=b400 SUBJECT_SAMPLE_FACTORS - b443 Genotype:MAL RAW_FILE_NAME=b443 SUBJECT_SAMPLE_FACTORS - b459 Genotype:MAL RAW_FILE_NAME=b459 SUBJECT_SAMPLE_FACTORS - poola1 Genotype:May Pool RAW_FILE_NAME=poola1 SUBJECT_SAMPLE_FACTORS - poola2 Genotype:May Pool RAW_FILE_NAME=poola2 SUBJECT_SAMPLE_FACTORS - poola3 Genotype:May Pool RAW_FILE_NAME=poola3 SUBJECT_SAMPLE_FACTORS - poolb1 Genotype:MAL Pool RAW_FILE_NAME=poolb1 SUBJECT_SAMPLE_FACTORS - poolb2 Genotype:MAL Pool RAW_FILE_NAME=poolb2 SUBJECT_SAMPLE_FACTORS - poolb3 Genotype:MAL Pool RAW_FILE_NAME=poolb3 SUBJECT_SAMPLE_FACTORS - qc1 Genotype:Pool RAW_FILE_NAME=qc1 SUBJECT_SAMPLE_FACTORS - qc2 Genotype:Pool RAW_FILE_NAME=qc2 SUBJECT_SAMPLE_FACTORS - qc3 Genotype:Pool RAW_FILE_NAME=qc3 SUBJECT_SAMPLE_FACTORS - blank1 Genotype:Blank RAW_FILE_NAME=blank1 SUBJECT_SAMPLE_FACTORS - blank2 Genotype:Blank RAW_FILE_NAME=blank2 SUBJECT_SAMPLE_FACTORS - blank3 Genotype:Blank RAW_FILE_NAME=blank3 SUBJECT_SAMPLE_FACTORS - blank4 Genotype:Blank RAW_FILE_NAME=blank4 #COLLECTION CO:COLLECTION_SUMMARY 2 mL venous blood was drawn of RDT+ individuals tested at the end of the dry CO:COLLECTION_SUMMARY season (May 2012) cross-sectional, and at the first malaria episode of the CO:COLLECTION_SUMMARY ensuing transmission season, into EDTA tubes (Vacutainer K3EDTA Tubes, BD) and CO:COLLECTION_SUMMARY processed directly at the field site. Plasma (used for metabolomic analysis) was CO:COLLECTION_SUMMARY separated by centrifugation and immediately frozen in liquid N2. Buffy coat was CO:COLLECTION_SUMMARY discarded and the RBC pellet was further removed of leucocytes in a two-step CO:COLLECTION_SUMMARY procedure; first by density gradient on Lymphoprep solution (Fresenius Kabi), CO:COLLECTION_SUMMARY followed by Plasmodipur (EuroProxima) filtration. CO:SAMPLE_TYPE Blood (plasma) #TREATMENT TR:TREATMENT_SUMMARY None, samples were collected at 2 natural timepoints. RDT+ individuals tested at TR:TREATMENT_SUMMARY the end of the dry season (May 2012) cross-sectional, and at the first malaria TR:TREATMENT_SUMMARY episode of the ensuing transmission season. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Each plasma sample was split into two independent samples for metabolite SP:SAMPLEPREP_SUMMARY extraction. For hydrophilic metabolites, 50µL of plasma was extracted by the SP:SAMPLEPREP_SUMMARY addition of 9X volumes of ice cold methanol. Samples were briefly vortexed SP:SAMPLEPREP_SUMMARY before centrifuging for 10 minutes to remove precipitated protein. The clarified SP:SAMPLEPREP_SUMMARY supernatants were dried under nitrogen gas and resuspended in 100µL (1:2 SP:SAMPLEPREP_SUMMARY dilution final). For hydrophobic metabolites, 25µL of plasma was extracted by SP:SAMPLEPREP_SUMMARY the addition of 3X volumes of isopropanol. Samples were briefly vortexed and SP:SAMPLEPREP_SUMMARY allowed to sit at room temperature for 10 minutes. Samples were then placed at SP:SAMPLEPREP_SUMMARY -20 °C to precipitate overnight. Precipitated samples were centrifuged for 20 SP:SAMPLEPREP_SUMMARY minutes and the clarified supernatant was diluted to 50% water in a glass LCMS SP:SAMPLEPREP_SUMMARY sample vial (1:6 dilution final). Sample groups were pooled to create a group QA SP:SAMPLEPREP_SUMMARY and all samples were pooled to create a batch QC, which were injected SP:SAMPLEPREP_SUMMARY periodically throughout each run. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Dionex Ultimate 3000 CH:COLUMN_NAME Waters XSelect HSS T3 column (2.1 x 100mm; 2.5 µm) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Exactive Plus Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS Aquired in MS1 mode only. Data processing and annotation performed using MAVEN MS:MS_COMMENTS and an in-house targeted list. Blank subtraction and analysis was performed in MS:MS_COMMENTS excel. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Area MS_METABOLITE_DATA_START Samples a244 a308 a320 a325 a326 a334 a351 a355 a357 a373 a388 a448 b161 b170 b224 b262 b322 b332 b371 b385 b391 b400 b443 b459 blank1 blank2 blank3 blank4 poola1 poola2 poola3 poolb1 poolb2 poolb3 qc1 qc2 qc3 Factors Genotype:May Genotype:May Genotype:May Genotype:May Genotype:May Genotype:May Genotype:May Genotype:May Genotype:May Genotype:May Genotype:May Genotype:May Genotype:MAL Genotype:MAL Genotype:MAL Genotype:MAL Genotype:MAL Genotype:MAL Genotype:MAL Genotype:MAL Genotype:MAL Genotype:MAL Genotype:MAL Genotype:MAL Genotype:Blank Genotype:Blank Genotype:Blank Genotype:Blank Genotype:May Pool Genotype:May Pool Genotype:May Pool Genotype:MAL Pool Genotype:MAL Pool Genotype:MAL Pool Genotype:Pool Genotype:Pool Genotype:Pool pyruvate 1130000000.0000 1320000000.0000 2080000000.0000 1110000000.0000 1360000000.0000 1260000000.0000 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2360000.0000 2010000.0000 3320000.0000 1610000.0000 2730000.0000 2640000.0000 2070000.0000 2360000.0000 1990000.0000 1700000.0000 2360000.0000 0.0000 0.0000 0.0000 0.0000 1910000.0000 2240000.0000 1780000.0000 1830000.0000 2510000.0000 1900000.0000 1790000.0000 2390000.0000 1810000.0000 valine 748000000.0000 706000000.0000 545000000.0000 642000000.0000 984000000.0000 732000000.0000 739000000.0000 756000000.0000 1100000000.0000 1210000000.0000 662000000.0000 629000000.0000 1520000000.0000 930000000.0000 1100000000.0000 947000000.0000 1170000000.0000 1590000000.0000 1020000000.0000 787000000.0000 937000000.0000 975000000.0000 1010000000.0000 1090000000.0000 78500.0000 162000.0000 75600.0000 12500.0000 667000000.0000 874000000.0000 686000000.0000 899000000.0000 1150000000.0000 930000000.0000 803000000.0000 1070000000.0000 832000000.0000 succinate/Methylmalonic acid 88500000.0000 57500000.0000 81000000.0000 129000000.0000 110000000.0000 153000000.0000 89700000.0000 76000000.0000 112000000.0000 94200000.0000 108000000.0000 60900000.0000 110000000.0000 115000000.0000 117000000.0000 183000000.0000 98000000.0000 128000000.0000 74700000.0000 128000000.0000 87400000.0000 81900000.0000 65500000.0000 129000000.0000 0.0000 7060000.0000 0.0000 3960000.0000 68200000.0000 116000000.0000 87500000.0000 80500000.0000 127000000.0000 104000000.0000 74300000.0000 127000000.0000 98400000.0000 threonine/homoserine 164000000.0000 126000000.0000 202000000.0000 137000000.0000 229000000.0000 186000000.0000 178000000.0000 167000000.0000 329000000.0000 393000000.0000 172000000.0000 243000000.0000 166000000.0000 159000000.0000 231000000.0000 213000000.0000 126000000.0000 205000000.0000 159000000.0000 182000000.0000 160000000.0000 128000000.0000 102000000.0000 174000000.0000 27100.0000 4740.0000 60700.0000 26600.0000 193000000.0000 245000000.0000 182000000.0000 149000000.0000 202000000.0000 153000000.0000 169000000.0000 222000000.0000 167000000.0000 3-S-methylthiopropionate 11000.0000 18500.0000 89200.0000 79000.0000 75400.0000 142000.0000 21300.0000 6800.0000 32500.0000 290000.0000 103000.0000 94700.0000 126000.0000 37900.0000 194000.0000 133000.0000 305000.0000 111000.0000 535000.0000 91900.0000 22100.0000 84800.0000 133000.0000 522000.0000 0.0000 0.0000 2910.0000 1550.0000 42600.0000 92200.0000 71400.0000 126000.0000 207000.0000 158000.0000 81300.0000 163000.0000 123000.0000 cysteine 711000.0000 752000.0000 913000.0000 671000.0000 1680000.0000 1620000.0000 342000.0000 1530000.0000 1620000.0000 1400000.0000 411000.0000 1450000.0000 365000.0000 545000.0000 1320000.0000 552000.0000 477000.0000 197000.0000 1670000.0000 469000.0000 1000000.0000 1330000.0000 402000.0000 2020000.0000 1370.0000 0.0000 0.0000 0.0000 1320000.0000 1200000.0000 952000.0000 754000.0000 630000.0000 527000.0000 1180000.0000 798000.0000 968000.0000 taurine 541000000.0000 458000000.0000 590000000.0000 647000000.0000 629000000.0000 716000000.0000 877000000.0000 530000000.0000 597000000.0000 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Ketoleucine 738000000.0000 658000000.0000 698000000.0000 601000000.0000 534000000.0000 1090000000.0000 524000000.0000 955000000.0000 1210000000.0000 1260000000.0000 765000000.0000 620000000.0000 1290000000.0000 1000000000.0000 1050000000.0000 1410000000.0000 769000000.0000 2220000000.0000 1600000000.0000 749000000.0000 648000000.0000 655000000.0000 704000000.0000 1630000000.0000 1630000.0000 1440000.0000 2040000.0000 1380000.0000 761000000.0000 705000000.0000 765000000.0000 942000000.0000 989000000.0000 927000000.0000 866000000.0000 1270000000.0000 865000000.0000 N-Acetyl-L-alanine 44200000.0000 20700000.0000 52900000.0000 48500000.0000 52400000.0000 59500000.0000 50300000.0000 29500000.0000 56600000.0000 44000000.0000 53400000.0000 31400000.0000 62400000.0000 26300000.0000 79600000.0000 67100000.0000 65700000.0000 59900000.0000 64000000.0000 40600000.0000 54000000.0000 36900000.0000 33700000.0000 80500000.0000 48900.0000 48700.0000 53800.0000 45500.0000 24400000.0000 52000000.0000 45400000.0000 28800000.0000 63200000.0000 54300000.0000 27300000.0000 58700000.0000 51500000.0000 hydroxyproline/Aminolevulinate 12000000.0000 9560000.0000 19400000.0000 15900000.0000 23300000.0000 23200000.0000 10900000.0000 19000000.0000 24400000.0000 17900000.0000 17900000.0000 12000000.0000 14500000.0000 11900000.0000 11900000.0000 12300000.0000 10000000.0000 12800000.0000 9010000.0000 15100000.0000 10500000.0000 7460000.0000 7950000.0000 11200000.0000 4650.0000 32300.0000 14900.0000 3400.0000 15600000.0000 20500000.0000 14800000.0000 9920000.0000 13900000.0000 10200000.0000 13500000.0000 16200000.0000 11900000.0000 leucine 777000000.0000 699000000.0000 643000000.0000 912000000.0000 854000000.0000 1140000000.0000 829000000.0000 1200000000.0000 1350000000.0000 1610000000.0000 1040000000.0000 815000000.0000 1800000000.0000 1140000000.0000 1350000000.0000 1170000000.0000 1300000000.0000 2010000000.0000 949000000.0000 865000000.0000 924000000.0000 960000000.0000 1190000000.0000 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5470000.0000 5700000.0000 4110000.0000 3470000.0000 4860000.0000 2190000.0000 5860000.0000 5140000.0000 5780000.0000 5630000.0000 6140000.0000 4750000.0000 5390000.0000 3120000.0000 3570000.0000 6830000.0000 5200.0000 12000.0000 24900.0000 28600.0000 2820000.0000 5080000.0000 3490000.0000 3140000.0000 5970000.0000 4130000.0000 1790000.0000 6150000.0000 3820000.0000 Acetyllysine 2640000.0000 1580000.0000 2780000.0000 3020000.0000 3120000.0000 2560000.0000 3180000.0000 2730000.0000 2650000.0000 2710000.0000 2730000.0000 2490000.0000 3950000.0000 2270000.0000 5510000.0000 3060000.0000 3300000.0000 4960000.0000 3620000.0000 2740000.0000 4160000.0000 3120000.0000 3230000.0000 4530000.0000 995.0000 2890.0000 1540.0000 1530.0000 1710000.0000 2440000.0000 2920000.0000 2480000.0000 3510000.0000 4100000.0000 2410000.0000 3250000.0000 3590000.0000 Kynurenic acid 312000.0000 232000.0000 387000.0000 539000.0000 365000.0000 730000.0000 407000.0000 356000.0000 847000.0000 1400000.0000 552000.0000 337000.0000 2760000.0000 683000.0000 1910000.0000 1020000.0000 1010000.0000 2250000.0000 1460000.0000 292000.0000 542000.0000 2390000.0000 984000.0000 3090000.0000 36400.0000 22300.0000 27100.0000 19700.0000 440000.0000 581000.0000 450000.0000 1040000.0000 1750000.0000 1110000.0000 789000.0000 1170000.0000 876000.0000 N-acetyl-glutamate 1940000.0000 1450000.0000 2400000.0000 1760000.0000 2290000.0000 2730000.0000 2140000.0000 2110000.0000 2300000.0000 3000000.0000 3250000.0000 1350000.0000 4080000.0000 1760000.0000 2820000.0000 2910000.0000 2990000.0000 2650000.0000 2550000.0000 1810000.0000 3400000.0000 2260000.0000 1430000.0000 3110000.0000 48200.0000 34800.0000 60700.0000 26500.0000 1700000.0000 2690000.0000 1910000.0000 1900000.0000 3110000.0000 2290000.0000 1660000.0000 3030000.0000 2060000.0000 citrate/isocitrate 3410000000.0000 2550000000.0000 2810000000.0000 3580000000.0000 3230000000.0000 5410000000.0000 3000000000.0000 2910000000.0000 4620000000.0000 5080000000.0000 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4830000.0000 9540000.0000 9000000.0000 10200000.0000 16500000.0000 7110000.0000 10000000.0000 11500000.0000 12200000.0000 6910000.0000 8220000.0000 4920000.0000 6320000.0000 5220000.0000 9930000.0000 3840000.0000 5850000.0000 4880000.0000 5860000.0000 8520000.0000 4520000.0000 8690000.0000 11400000.0000 15200.0000 14700.0000 132000.0000 26400.0000 8320000.0000 10800000.0000 7450000.0000 7060000.0000 8220000.0000 4830000.0000 8400000.0000 9810000.0000 5860000.0000 SD 905000.0000 1240000.0000 874000.0000 2100000.0000 3110000.0000 3100000.0000 1610000.0000 2560000.0000 4450000.0000 4510000.0000 2140000.0000 2220000.0000 4100000.0000 1730000.0000 2770000.0000 2310000.0000 1810000.0000 2900000.0000 1950000.0000 1030000.0000 6010000.0000 1240000.0000 1740000.0000 2810000.0000 0.0000 1050.0000 1220.0000 803.0000 1980000.0000 3070000.0000 1030000.0000 1980000.0000 3010000.0000 1020000.0000 2160000.0000 2920000.0000 1050000.0000 N-acetyl-glucosamine 2450000.0000 2870000.0000 2400000.0000 3280000.0000 2740000.0000 3770000.0000 2090000.0000 2730000.0000 3400000.0000 2480000.0000 2550000.0000 2660000.0000 4230000.0000 4620000.0000 5190000.0000 4500000.0000 3100000.0000 5900000.0000 5380000.0000 2830000.0000 3250000.0000 4350000.0000 5210000.0000 6140000.0000 1280.0000 3810.0000 3180.0000 2020.0000 2660000.0000 3320000.0000 2110000.0000 3820000.0000 4810000.0000 3390000.0000 3810000.0000 4240000.0000 2600000.0000 deoxyuridine 277000.0000 584000.0000 57900.0000 446000.0000 305000.0000 629000.0000 299000.0000 361000.0000 357000.0000 335000.0000 182000.0000 420000.0000 143000.0000 186000.0000 896000.0000 6420.0000 104000.0000 186000.0000 691000.0000 46100.0000 272000.0000 738000.0000 711000.0000 902000.0000 1160.0000 1030.0000 0.0000 1070.0000 382000.0000 417000.0000 77000.0000 354000.0000 374000.0000 38100.0000 378000.0000 433000.0000 50900.0000 Ribose-5-phosphate 3740000.0000 2230000.0000 4350000.0000 6200000.0000 6040000.0000 4600000.0000 5640000.0000 3100000.0000 4210000.0000 2100000.0000 3790000.0000 3370000.0000 4720000.0000 2990000.0000 3990000.0000 5870000.0000 2710000.0000 6880000.0000 3250000.0000 4150000.0000 3470000.0000 3670000.0000 6440000.0000 4850000.0000 0.0000 10900.0000 0.0000 2130.0000 2840000.0000 4440000.0000 4180000.0000 2500000.0000 5590000.0000 3610000.0000 2520000.0000 5530000.0000 3810000.0000 Tetrahydrobiopterin 20200.0000 140000.0000 275000.0000 87500.0000 251000.0000 231000.0000 153000.0000 252000.0000 43300.0000 398000.0000 138000.0000 43200.0000 33400.0000 108000.0000 289000.0000 146000.0000 0.0000 0.0000 0.0000 0.0000 196000.0000 0.0000 0.0000 39300.0000 0.0000 0.0000 0.0000 678.0000 259000.0000 322000.0000 211000.0000 0.0000 0.0000 129000.0000 48200.0000 143000.0000 75100.0000 cytidine 5580000.0000 4440000.0000 6410000.0000 6470000.0000 3730000.0000 6020000.0000 9390000.0000 4500000.0000 5320000.0000 3970000.0000 4920000.0000 6790000.0000 3190000.0000 4070000.0000 2820000.0000 3370000.0000 3400000.0000 2940000.0000 3020000.0000 2550000.0000 5730000.0000 2640000.0000 3010000.0000 2730000.0000 22900.0000 11000.0000 28100.0000 38000.0000 5140000.0000 6370000.0000 4360000.0000 3180000.0000 3530000.0000 2600000.0000 3920000.0000 4770000.0000 3310000.0000 uridine 46700000.0000 38700000.0000 50700000.0000 51900000.0000 54000000.0000 53200000.0000 49700000.0000 52300000.0000 62800000.0000 47100000.0000 47400000.0000 51200000.0000 55800000.0000 44300000.0000 73000000.0000 58700000.0000 49000000.0000 68500000.0000 43400000.0000 36000000.0000 44900000.0000 55700000.0000 47500000.0000 55800000.0000 0.0000 2880.0000 1900.0000 2810.0000 37700000.0000 49900000.0000 48400000.0000 41200000.0000 52700000.0000 50800000.0000 42300000.0000 53500000.0000 49800000.0000 biotin 1700000.0000 1490000.0000 885000.0000 1290000.0000 40700.0000 2450000.0000 2080000.0000 2160000.0000 2850000.0000 2230000.0000 2020000.0000 1890000.0000 3230000.0000 2180000.0000 2660000.0000 3000000.0000 3310000.0000 4120000.0000 3860000.0000 1610000.0000 112000.0000 1950000.0000 2250000.0000 3900000.0000 1760.0000 0.0000 7580.0000 0.0000 1570000.0000 3020000.0000 298000.0000 2400000.0000 3660000.0000 1670000.0000 2160000.0000 3730000.0000 26300.0000 EV 1470000.0000 1430000.0000 1420000.0000 1720000.0000 1200000.0000 1460000.0000 1960000.0000 2260000.0000 2160000.0000 2930000.0000 1810000.0000 1540000.0000 197000.0000 1640000.0000 347000.0000 1680000.0000 210000.0000 379000.0000 2000000.0000 879000.0000 1740000.0000 2020000.0000 1440000.0000 890000.0000 0.0000 0.0000 0.0000 0.0000 1490000.0000 2140000.0000 1470000.0000 904000.0000 1270000.0000 891000.0000 1160000.0000 1650000.0000 994000.0000 hexose-phosphate 2090000.0000 1820000.0000 1750000.0000 1110000.0000 1980000.0000 2020000.0000 1830000.0000 2960000.0000 1400000.0000 2770000.0000 1410000.0000 1460000.0000 3240000.0000 5290000.0000 3450000.0000 2620000.0000 3570000.0000 4300000.0000 2890000.0000 2300000.0000 2100000.0000 3650000.0000 2900000.0000 2220000.0000 4160.0000 0.0000 0.0000 0.0000 1840000.0000 983000.0000 1600000.0000 3580000.0000 3930000.0000 2750000.0000 3150000.0000 3060000.0000 2180000.0000 thiamine 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 2,3-Diphosphoglyceric acid 654000.0000 791000.0000 736000.0000 751000.0000 471000.0000 792000.0000 793000.0000 683000.0000 707000.0000 975000.0000 622000.0000 651000.0000 534000.0000 600000.0000 684000.0000 890000.0000 396000.0000 1090000.0000 890000.0000 562000.0000 438000.0000 1430000.0000 754000.0000 467000.0000 0.0000 0.0000 0.0000 2880.0000 670000.0000 866000.0000 540000.0000 858000.0000 951000.0000 517000.0000 846000.0000 885000.0000 503000.0000 adenosine 644000.0000 1170000.0000 646000.0000 499000.0000 477000.0000 662000.0000 896000.0000 1470000.0000 862000.0000 1400000.0000 907000.0000 729000.0000 440000.0000 821000.0000 528000.0000 1020000.0000 226000.0000 562000.0000 381000.0000 731000.0000 943000.0000 534000.0000 273000.0000 412000.0000 1750.0000 0.0000 0.0000 0.0000 794000.0000 933000.0000 480000.0000 503000.0000 580000.0000 334000.0000 955000.0000 692000.0000 556000.0000 inosine 9210000.0000 10600000.0000 11700000.0000 18000000.0000 12000000.0000 14200000.0000 15200000.0000 13100000.0000 13500000.0000 15300000.0000 9830000.0000 10700000.0000 13400000.0000 11400000.0000 21100000.0000 12700000.0000 10800000.0000 23100000.0000 12800000.0000 7130000.0000 12800000.0000 14500000.0000 12300000.0000 14700000.0000 12600.0000 18500.0000 12800.0000 6900.0000 12600000.0000 14500000.0000 10200000.0000 11900000.0000 15000000.0000 9290000.0000 12500000.0000 16800000.0000 9200000.0000 1-Methyladenosine 2780000.0000 2960000.0000 2810000.0000 3860000.0000 3070000.0000 4240000.0000 2400000.0000 3440000.0000 4270000.0000 3760000.0000 2480000.0000 3290000.0000 5090000.0000 4760000.0000 5180000.0000 5270000.0000 4120000.0000 6960000.0000 5380000.0000 2880000.0000 3070000.0000 3870000.0000 5290000.0000 6470000.0000 11100.0000 5670.0000 23800.0000 5500.0000 3340000.0000 4130000.0000 2520000.0000 4240000.0000 5580000.0000 3290000.0000 3820000.0000 4770000.0000 2900000.0000 xanthosine 150000.0000 23600.0000 359000.0000 161000.0000 171000.0000 103000.0000 185000.0000 37200.0000 104000.0000 116000.0000 189000.0000 55300.0000 169000.0000 11200.0000 202000.0000 225000.0000 35000.0000 118000.0000 81800.0000 177000.0000 158000.0000 66600.0000 88000.0000 147000.0000 0.0000 0.0000 0.0000 0.0000 25200.0000 115000.0000 179000.0000 29200.0000 93100.0000 174000.0000 26400.0000 116000.0000 211000.0000 D-sedoheptulose-1/7-phosphate 510000.0000 226000.0000 257000.0000 183000.0000 531000.0000 822000.0000 370000.0000 419000.0000 398000.0000 1150000.0000 119000.0000 279000.0000 376000.0000 818000.0000 860000.0000 235000.0000 528000.0000 355000.0000 735000.0000 351000.0000 524000.0000 497000.0000 397000.0000 459000.0000 0.0000 0.0000 0.0000 0.0000 491000.0000 517000.0000 267000.0000 523000.0000 530000.0000 228000.0000 515000.0000 523000.0000 246000.0000 L-arginino-succinate 801000.0000 657000.0000 825000.0000 817000.0000 1060000.0000 1340000.0000 1150000.0000 784000.0000 1030000.0000 1350000.0000 717000.0000 960000.0000 1020000.0000 758000.0000 3310000.0000 1070000.0000 784000.0000 829000.0000 373000.0000 475000.0000 1260000.0000 1710000.0000 1130000.0000 1090000.0000 0.0000 1150.0000 0.0000 0.0000 762000.0000 1070000.0000 882000.0000 1010000.0000 1300000.0000 1010000.0000 939000.0000 1160000.0000 922000.0000 4-phosphopantothenate 252000.0000 29900.0000 127000.0000 220000.0000 293000.0000 190000.0000 124000.0000 101000.0000 223000.0000 140000.0000 151000.0000 93400.0000 269000.0000 123000.0000 218000.0000 292000.0000 271000.0000 83400.0000 177000.0000 250000.0000 139000.0000 110000.0000 129000.0000 274000.0000 0.0000 0.0000 0.0000 0.0000 111000.0000 251000.0000 135000.0000 114000.0000 235000.0000 172000.0000 99400.0000 246000.0000 138000.0000 N-acetyl-glucosamine-1/6-phosphate 1350000.0000 954000.0000 7340000.0000 623000.0000 2640000.0000 3160000.0000 3090000.0000 3300000.0000 3670000.0000 869000.0000 2590000.0000 3750000.0000 1840000.0000 3430000.0000 2350000.0000 1870000.0000 3520000.0000 210000.0000 465000.0000 1690000.0000 1680000.0000 683000.0000 972000.0000 463000.0000 0.0000 0.0000 0.0000 0.0000 1880000.0000 3390000.0000 2690000.0000 1160000.0000 2130000.0000 1600000.0000 1550000.0000 2770000.0000 2210000.0000 glutathione 190000.0000 698000.0000 342000.0000 282000.0000 389000.0000 805000.0000 305000.0000 971000.0000 558000.0000 493000.0000 306000.0000 846000.0000 164000.0000 580000.0000 241000.0000 193000.0000 223000.0000 193000.0000 819000.0000 67200.0000 266000.0000 734000.0000 386000.0000 839000.0000 1120000.0000 212000.0000 257000.0000 11500.0000 779000.0000 519000.0000 287000.0000 467000.0000 381000.0000 121000.0000 667000.0000 481000.0000 186000.0000 UMP 1850000.0000 2970000.0000 1710000.0000 2730000.0000 2210000.0000 3770000.0000 3420000.0000 2900000.0000 2720000.0000 2150000.0000 1810000.0000 2170000.0000 1610000.0000 3820000.0000 1680000.0000 2960000.0000 1670000.0000 3050000.0000 1140000.0000 1910000.0000 1810000.0000 1470000.0000 1450000.0000 891000.0000 2040.0000 1920.0000 0.0000 0.0000 3210000.0000 3220000.0000 1530000.0000 2410000.0000 2480000.0000 1060000.0000 3150000.0000 2850000.0000 1290000.0000 cyclic-AMP 285000.0000 316000.0000 408000.0000 269000.0000 610000.0000 914000.0000 471000.0000 393000.0000 840000.0000 460000.0000 388000.0000 407000.0000 274000.0000 296000.0000 571000.0000 294000.0000 326000.0000 444000.0000 834000.0000 369000.0000 699000.0000 676000.0000 394000.0000 561000.0000 345000.0000 154000.0000 605000.0000 264000.0000 408000.0000 391000.0000 283000.0000 325000.0000 470000.0000 242000.0000 375000.0000 520000.0000 264000.0000 dAMP 0.0000 4240.0000 5990.0000 4240.0000 0.0000 5380.0000 14100.0000 5760.0000 4290.0000 9590.0000 1610.0000 0.0000 2440.0000 2020.0000 72400.0000 172000.0000 0.0000 56800.0000 42600.0000 4930.0000 17700.0000 17100.0000 22100.0000 37500.0000 0.0000 0.0000 0.0000 0.0000 0.0000 7010.0000 0.0000 11900.0000 25600.0000 25800.0000 6550.0000 24300.0000 19300.0000 IDS 505000.0000 221000.0000 455000.0000 620000.0000 410000.0000 489000.0000 470000.0000 391000.0000 580000.0000 804000.0000 567000.0000 290000.0000 210000.0000 333000.0000 459000.0000 735000.0000 392000.0000 360000.0000 603000.0000 659000.0000 710000.0000 435000.0000 422000.0000 658000.0000 0.0000 0.0000 0.0000 0.0000 316000.0000 590000.0000 548000.0000 208000.0000 564000.0000 556000.0000 174000.0000 578000.0000 526000.0000 DLS 95100.0000 115000.0000 97400.0000 139000.0000 92600.0000 219000.0000 109000.0000 224000.0000 222000.0000 261000.0000 125000.0000 151000.0000 142000.0000 241000.0000 163000.0000 215000.0000 200000.0000 223000.0000 268000.0000 177000.0000 153000.0000 233000.0000 230000.0000 275000.0000 0.0000 0.0000 0.0000 0.0000 158000.0000 144000.0000 114000.0000 165000.0000 248000.0000 140000.0000 193000.0000 176000.0000 112000.0000 fructose-1-6-bisphosphate 99000.0000 64900.0000 240000.0000 388000.0000 203000.0000 221000.0000 110000.0000 21500.0000 102000.0000 18300.0000 159000.0000 114000.0000 0.0000 14300.0000 0.0000 0.0000 0.0000 0.0000 0.0000 8750.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 56700.0000 53000.0000 94900.0000 0.0000 14100.0000 0.0000 55900.0000 39800.0000 34600.0000 trehalose/sucrose 2810000.0000 10100000.0000 8600000.0000 2840000.0000 2800000.0000 6220000.0000 8270000.0000 4910000.0000 3800000.0000 5730000.0000 4090000.0000 9880000.0000 7450000.0000 18300000.0000 8770000.0000 10900000.0000 17700000.0000 29400000.0000 14000000.0000 10000000.0000 6600000.0000 10000000.0000 9860000.0000 7120000.0000 86800.0000 110000.0000 58900.0000 78200.0000 6600000.0000 5200000.0000 1440000.0000 14100000.0000 14600000.0000 8940000.0000 9690000.0000 10300000.0000 6300000.0000 thiamine-phosphate 6040.0000 338000.0000 85200.0000 137000.0000 32100.0000 31000.0000 118000.0000 108000.0000 30400.0000 90500.0000 111000.0000 384000.0000 0.0000 49300.0000 4930.0000 19100.0000 0.0000 9170.0000 39000.0000 66000.0000 356000.0000 121000.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 100000.0000 137000.0000 64700.0000 42400.0000 25800.0000 28500.0000 71300.0000 108000.0000 26600.0000 dGMP/AMP 13900000.0000 15500000.0000 14800000.0000 18800000.0000 16600000.0000 19700000.0000 27900000.0000 16600000.0000 16600000.0000 12900000.0000 11800000.0000 14500000.0000 19800000.0000 31100000.0000 16400000.0000 37300000.0000 11900000.0000 27100000.0000 12200000.0000 24000000.0000 15900000.0000 9940000.0000 8420000.0000 5150000.0000 45300.0000 28400.0000 26600.0000 7230.0000 16900000.0000 20300000.0000 11500000.0000 18500000.0000 23300000.0000 13200000.0000 17300000.0000 20800000.0000 12100000.0000 IMP 3490000.0000 2830000.0000 1480000.0000 7410000.0000 7330000.0000 5370000.0000 3770000.0000 3710000.0000 3100000.0000 2390000.0000 1930000.0000 4310000.0000 1080000.0000 5480000.0000 990000.0000 1270000.0000 1930000.0000 1240000.0000 147000.0000 1670000.0000 598000.0000 147000.0000 214000.0000 639000.0000 7120.0000 4700.0000 4490.0000 0.0000 4610000.0000 3930000.0000 3030000.0000 1800000.0000 1200000.0000 1040000.0000 3610000.0000 2400000.0000 2100000.0000 Phenol Red 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1070.0000 0.0000 0.0000 0.0000 0.0000 1280.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 9560.0000 0.0000 0.0000 1050.0000 1140.0000 0.0000 0.0000 1260.0000 1450.0000 0.0000 0.0000 1360.0000 0.0000 4-phosphopantetheine 226000.0000 86700.0000 236000.0000 305000.0000 187000.0000 222000.0000 306000.0000 136000.0000 295000.0000 346000.0000 400000.0000 92800.0000 288000.0000 207000.0000 314000.0000 348000.0000 334000.0000 177000.0000 394000.0000 492000.0000 524000.0000 252000.0000 253000.0000 391000.0000 0.0000 0.0000 0.0000 0.0000 121000.0000 260000.0000 267000.0000 179000.0000 470000.0000 487000.0000 135000.0000 417000.0000 362000.0000 GMP 641000.0000 803000.0000 659000.0000 684000.0000 567000.0000 651000.0000 1070000.0000 898000.0000 606000.0000 405000.0000 546000.0000 671000.0000 618000.0000 1980000.0000 495000.0000 1210000.0000 390000.0000 860000.0000 443000.0000 1330000.0000 621000.0000 584000.0000 504000.0000 112000.0000 19000.0000 0.0000 6100.0000 5680.0000 931000.0000 640000.0000 493000.0000 1170000.0000 764000.0000 672000.0000 1100000.0000 575000.0000 604000.0000 orotidine-5'-phosphate 464000.0000 374000.0000 400000.0000 466000.0000 244000.0000 494000.0000 575000.0000 380000.0000 326000.0000 657000.0000 415000.0000 381000.0000 158000.0000 81600.0000 190000.0000 270000.0000 146000.0000 126000.0000 102000.0000 226000.0000 169000.0000 81400.0000 87800.0000 256000.0000 0.0000 0.0000 0.0000 0.0000 354000.0000 543000.0000 325000.0000 110000.0000 212000.0000 143000.0000 244000.0000 445000.0000 271000.0000 dCDP 17100.0000 23100.0000 0.0000 29900.0000 6730.0000 151000.0000 27600.0000 108000.0000 63700.0000 120000.0000 27400.0000 26000.0000 75000.0000 53800.0000 125000.0000 32300.0000 125000.0000 90300.0000 60500.0000 103000.0000 77900.0000 88400.0000 151000.0000 240000.0000 0.0000 0.0000 0.0000 0.0000 40000.0000 63400.0000 34200.0000 71800.0000 142000.0000 70300.0000 52300.0000 125000.0000 46400.0000 Octulose Bisphosphate 166000.0000 310000.0000 166000.0000 232000.0000 144000.0000 363000.0000 180000.0000 302000.0000 260000.0000 266000.0000 214000.0000 235000.0000 87400.0000 74500.0000 162000.0000 165000.0000 66300.0000 103000.0000 81300.0000 99600.0000 107000.0000 127000.0000 108000.0000 224000.0000 0.0000 0.0000 0.0000 0.0000 280000.0000 323000.0000 139000.0000 117000.0000 183000.0000 35200.0000 216000.0000 261000.0000 91100.0000 dTDP 736000.0000 1650000.0000 563000.0000 928000.0000 804000.0000 1710000.0000 851000.0000 1950000.0000 1600000.0000 1880000.0000 675000.0000 1400000.0000 2310000.0000 2820000.0000 1870000.0000 1700000.0000 2570000.0000 2920000.0000 2960000.0000 1620000.0000 1730000.0000 1760000.0000 2190000.0000 3100000.0000 0.0000 0.0000 0.0000 0.0000 1910000.0000 1630000.0000 558000.0000 2520000.0000 2680000.0000 994000.0000 2520000.0000 2080000.0000 707000.0000 UDP 340000.0000 638000.0000 318000.0000 488000.0000 362000.0000 611000.0000 759000.0000 709000.0000 490000.0000 315000.0000 322000.0000 468000.0000 287000.0000 1320000.0000 316000.0000 891000.0000 356000.0000 973000.0000 122000.0000 284000.0000 306000.0000 155000.0000 290000.0000 55400.0000 2600.0000 4070.0000 3460.0000 1840.0000 577000.0000 633000.0000 262000.0000 523000.0000 620000.0000 206000.0000 589000.0000 468000.0000 178000.0000 dGDP/ADP 27200000.0000 33000000.0000 28000000.0000 33300000.0000 23800000.0000 35700000.0000 59500000.0000 43300000.0000 41100000.0000 24800000.0000 25800000.0000 29800000.0000 21000000.0000 53900000.0000 28400000.0000 55100000.0000 22600000.0000 44000000.0000 18600000.0000 28900000.0000 29400000.0000 24400000.0000 21100000.0000 7530000.0000 0.0000 17900.0000 48000.0000 17300.0000 35100000.0000 43200000.0000 21500000.0000 33900000.0000 41000000.0000 18700000.0000 36700000.0000 39000000.0000 18700000.0000 IDP 1170000.0000 6120000.0000 1250000.0000 1720000.0000 1510000.0000 4020000.0000 1230000.0000 4190000.0000 2810000.0000 3290000.0000 1060000.0000 5790000.0000 1800000.0000 7830000.0000 2920000.0000 2060000.0000 2280000.0000 4290000.0000 3680000.0000 1090000.0000 1700000.0000 7760000.0000 8610000.0000 4530000.0000 13300.0000 0.0000 0.0000 0.0000 5970000.0000 2920000.0000 1050000.0000 9020000.0000 3560000.0000 1070000.0000 8620000.0000 2810000.0000 1060000.0000 folate 0.0000 0.0000 0.0000 0.0000 5790.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 6210.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 4610.0000 3730.0000 0.0000 0.0000 0.0000 GDP 297000.0000 418000.0000 311000.0000 400000.0000 269000.0000 445000.0000 814000.0000 660000.0000 564000.0000 352000.0000 311000.0000 417000.0000 319000.0000 770000.0000 340000.0000 974000.0000 330000.0000 873000.0000 238000.0000 429000.0000 382000.0000 381000.0000 351000.0000 76600.0000 0.0000 0.0000 0.0000 0.0000 473000.0000 626000.0000 217000.0000 657000.0000 716000.0000 239000.0000 607000.0000 563000.0000 187000.0000 CDP-ethanolamine 1650000.0000 6610000.0000 1300000.0000 1870000.0000 1670000.0000 3190000.0000 2250000.0000 7210000.0000 2210000.0000 1660000.0000 1720000.0000 4860000.0000 1300000.0000 9840000.0000 2100000.0000 2360000.0000 1110000.0000 2180000.0000 1130000.0000 1150000.0000 1770000.0000 3210000.0000 1770000.0000 669000.0000 0.0000 0.0000 0.0000 0.0000 7140000.0000 2760000.0000 1270000.0000 5630000.0000 1900000.0000 915000.0000 7450000.0000 2200000.0000 1040000.0000 dGTP/ATP 8840000.0000 6490000.0000 9340000.0000 10500000.0000 7220000.0000 10400000.0000 18900000.0000 12800000.0000 12200000.0000 6250000.0000 9400000.0000 6440000.0000 5180000.0000 5990000.0000 8170000.0000 15500000.0000 4990000.0000 11600000.0000 4100000.0000 8010000.0000 11400000.0000 6780000.0000 4910000.0000 1840000.0000 0.0000 0.0000 0.0000 551.0000 3440000.0000 13700000.0000 7330000.0000 3960000.0000 11700000.0000 6040000.0000 5390000.0000 11500000.0000 5810000.0000 UDP-D-glucose 493000.0000 0.0000 590000.0000 403000.0000 670000.0000 204000.0000 557000.0000 0.0000 306000.0000 51300.0000 482000.0000 0.0000 251000.0000 0.0000 189000.0000 477000.0000 153000.0000 212000.0000 40200.0000 602000.0000 533000.0000 0.0000 0.0000 17800.0000 0.0000 0.0000 0.0000 0.0000 92900.0000 242000.0000 566000.0000 70600.0000 176000.0000 467000.0000 0.0000 232000.0000 496000.0000 UDP-D-glucuronate 481000.0000 1150000.0000 940000.0000 937000.0000 1110000.0000 1720000.0000 1800000.0000 1390000.0000 1610000.0000 653000.0000 770000.0000 1210000.0000 438000.0000 1810000.0000 1040000.0000 1320000.0000 804000.0000 1730000.0000 356000.0000 735000.0000 662000.0000 634000.0000 277000.0000 145000.0000 0.0000 0.0000 0.0000 0.0000 1550000.0000 1530000.0000 712000.0000 1080000.0000 1120000.0000 458000.0000 1200000.0000 1230000.0000 507000.0000 UDP-N-acetyl-glucosamine 701000.0000 590000.0000 588000.0000 804000.0000 567000.0000 634000.0000 59500.0000 1070000.0000 209000.0000 173000.0000 464000.0000 526000.0000 212000.0000 641000.0000 447000.0000 155000.0000 146000.0000 271000.0000 181000.0000 584000.0000 581000.0000 315000.0000 217000.0000 387000.0000 0.0000 0.0000 0.0000 0.0000 1010000.0000 270000.0000 592000.0000 461000.0000 473000.0000 581000.0000 1160000.0000 330000.0000 709000.0000 glutathione disulfide 505000.0000 1170000.0000 361000.0000 465000.0000 592000.0000 1470000.0000 1100000.0000 1520000.0000 649000.0000 611000.0000 692000.0000 1200000.0000 128000.0000 680000.0000 395000.0000 105000.0000 101000.0000 52500.0000 421000.0000 124000.0000 463000.0000 648000.0000 290000.0000 300000.0000 0.0000 0.0000 0.0000 0.0000 1030000.0000 1020000.0000 431000.0000 327000.0000 326000.0000 113000.0000 755000.0000 621000.0000 239000.0000 NAD+ 177000.0000 244000.0000 82900.0000 284000.0000 220000.0000 404000.0000 341000.0000 114000.0000 223000.0000 207000.0000 75800.0000 179000.0000 0.0000 196000.0000 120000.0000 0.0000 0.0000 0.0000 34600.0000 0.0000 216000.0000 173000.0000 35500.0000 53000.0000 0.0000 0.0000 0.0000 0.0000 259000.0000 225000.0000 73400.0000 45100.0000 50000.0000 13200.0000 207000.0000 153000.0000 38400.0000 FAD 130000.0000 289000.0000 163000.0000 217000.0000 128000.0000 361000.0000 232000.0000 296000.0000 381000.0000 301000.0000 119000.0000 254000.0000 163000.0000 289000.0000 180000.0000 238000.0000 152000.0000 278000.0000 290000.0000 130000.0000 153000.0000 367000.0000 294000.0000 274000.0000 0.0000 2420.0000 0.0000 0.0000 321000.0000 271000.0000 106000.0000 327000.0000 317000.0000 95400.0000 351000.0000 281000.0000 90800.0000 acetyl-CoA 15500.0000 24800.0000 16900.0000 27200.0000 24600.0000 42600.0000 34100.0000 52300.0000 55300.0000 16100.0000 18300.0000 42200.0000 0.0000 8840.0000 6830.0000 0.0000 0.0000 0.0000 0.0000 0.0000 528.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 21500.0000 38100.0000 12800.0000 883.0000 0.0000 0.0000 15500.0000 20700.0000 5070.0000 Cystine 21800000.0000 24600000.0000 16000000.0000 25600000.0000 32000000.0000 37000000.0000 14500000.0000 26300000.0000 38700000.0000 38200000.0000 15300000.0000 27800000.0000 21300000.0000 18600000.0000 31600000.0000 14500000.0000 17000000.0000 10400000.0000 20100000.0000 15900000.0000 25300000.0000 26100000.0000 9530000.0000 19700000.0000 273000.0000 3380.0000 16200.0000 0.0000 26100000.0000 33100000.0000 21600000.0000 18900000.0000 24300000.0000 15700000.0000 22100000.0000 26200000.0000 17300000.0000 creatine 15000000.0000 13900000.0000 16800000.0000 6670000.0000 11500000.0000 30300000.0000 16500000.0000 13800000.0000 22100000.0000 39000000.0000 10200000.0000 28700000.0000 32200000.0000 18600000.0000 16200000.0000 44200000.0000 33500000.0000 98500000.0000 61300000.0000 29400000.0000 22900000.0000 27500000.0000 24800000.0000 43100000.0000 0.0000 0.0000 0.0000 0.0000 16600000.0000 19700000.0000 16200000.0000 32100000.0000 41600000.0000 31600000.0000 23700000.0000 31100000.0000 22900000.0000 Creatinine 13100000.0000 9920000.0000 12600000.0000 14900000.0000 12300000.0000 14500000.0000 14300000.0000 10600000.0000 17400000.0000 16700000.0000 13600000.0000 14200000.0000 21900000.0000 16900000.0000 27500000.0000 17900000.0000 14400000.0000 20900000.0000 17700000.0000 12200000.0000 13500000.0000 14500000.0000 13400000.0000 24700000.0000 1360.0000 5570.0000 2100.0000 3740.0000 12400000.0000 15600000.0000 12400000.0000 15800000.0000 18500000.0000 14500000.0000 13400000.0000 17400000.0000 13500000.0000 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name quantified m/z Retention times Adduct Formula pyruvate 87.0088 8.67 [M-H]- C3H4O3 alanine/sarcosine 88.0404 1.15 [M-H]- C3H7NO2 lactate 89.0244 7.28 [M-H]- C3H6O3 acetoacetate 101.0244 7.74 [M-H]- C4H6O3 4-aminobutyrate 102.0561 4 [M-H]- C4H9NO2 serine 104.0353 1.14 [M-H]- C3H7NO3 glycerate 105.0193 6.35 [M-H]- C3H6O4 creatine 112.0516 1.22 [M-H]- C4H7N3O proline 114.0561 1.27 [M-H]- C5H9NO2 fumarate 115.0037 13.49 [M-H]- C4H4O4 2-keto-isovalerate 115.0401 13.06 [M-H]- C5H8O3 Acetyl-glycine 116.0353 7.44 [M-H]- CH3CONHCH2CO2H indole 116.05 7.5 [M-H]- C8H7N valine 116.0717 1.18 [M-H]- C5H11NO2 succinate/Methylmalonic acid 117.0193 11.77 [M-H]- C4H6O4 threonine/homoserine 118.051 1.19 [M-H]- C4H9NO3 3-S-methylthiopropionate 119.0172 11.92 [M-H]- C4H8O2S cysteine 120.0125 1.23 [M-H]- C3H7NO2S taurine 124.0074 0.82 [M-H]- C2H7NO3S Pyroglutamic acid 128.0353 7.69 [M-H]- C5H7NO3 DL-Pipecolic Acid 128.0717 1.2 [M-H]- C6H11NO2 Citraconic acid 129.0193 13.29 [M-H]- C5H6O4 Ketoleucine 129.0557 14.3 [M-H]- C6H10O3 N-Acetyl-L-alanine 130.051 8.02 [M-H]- C5H9NO3 hydroxyproline/Aminolevulinate 130.051 1.15 [M-H]- C5H9NO3 Creatinine 130.0622 1.33 [M-H]- C4H9N3O2 oxaloacetate 130.9986 13.64 [M-H]- C4H4O5 asparagine 131.0462 1.15 [M-H]- C4H8N2O3 Hydroxyisocaproic acid 131.0714 14.14 [M-H]- C6H12O3 ornithine 131.0826 1 [M-H]- C5H12N2O2 aspartate 132.0302 3.95 [M-H]- C4H7NO4 malate 133.0142 12.7 [M-H]- C4H6O5 p-aminobenzoate 136.0404 8.7 [M-H]- C7H7NO2 p-hydroxybenzoate 137.0244 10.88 [M-H]- C7H6O3 glutamine 145.0619 1.17 [M-H]- C5H10N2O3 lysine 145.0983 0.85 [M-H]- C6H14N2O2 glutamate 146.0459 3.52 [M-H]- C5H9NO4 2-oxo-4-methylthiobutanoate 147.0121 13.75 [M-H]- C5H8O3S 2-Hydroxy-2-methylbutanedioic acid 147.03385 12.06 [M-H]- C5H8O5 methionine 148.0438 1.77 [M-H]- C5H11NO2S ribose 149.0455 1.22 [M-H]- C5H10O5 xanthine 151.0262 2.69 [M-H]- C5H4N4O2 Hydroxyphenylacetic acid 151.0401 14.68 [M-H]- C8H8O3 Dithioerythritol 153.0049 4.37 [M-H]- C4H10O2S2 histidine 154.0622 0.87 [M-H]- C6H9N3O2 orotate 155.0098 8.1 [M-H]- C5H4N2O4 allantoin 157.0367 0.82 [M-H]- C4H6N4O3 Indole-3-carboxylic acid 160.0404 14.31 [M-H]- C9H7NO2 Aminoadipic acid 160.0615 3.22 [M-H]- C6H11NO4 phenylpyruvate 163.0401 15.1 [M-H]- C9H8O3 phenylalanine 164.0717 4.37 [M-H]- C9H11NO2 Phenyllactic acid 165.0557 14.68 [M-H]- C9H10O3 quinolinate 166.0146 13.58 [M-H]- C7H5NO4 phosphoenolpyruvate 166.9751 13.83 [M-H]- C3H5O6P Uric acid 167.0211 6.17 [M-H]- C5H4N4O3 pyridoxine 168.0666 1.8 [M-H]- C8H11NO3 dihydroxy-acetone-phosphate 168.9908 9 [M-H]- C3H7O6P sn-glycerol-3-phosphate 171.0064 7.3 [M-H]- C3H9O6P aconitate 173.0092 14 [M-H]- C6H6O6 N-acetyl-L-ornithine 173.0932 1.21 [M-H]- C7H14N2O3 arginine 173.1044 0.87 [M-H]- C6H14N4O2 acetyl-aspartate 174.0408 13 [M-H]- C6H9NO5 citrulline 174.0884 0.9 [M-H]- C6H13N3O3 N-carbamoyl-L-aspartate 175.036 12.25 [M-H]- C5H8N2O5 allantoate 175.0473 5.62 [M-H]- C4H8N4O4 2-Isopropylmalic acid 175.0612 13.87 [M-H]- C7H12O5 Pyrophosphate 176.936 13.87 [M-H]- P2H4O7 myo-inositol 179.0561 1.13 [M-H]- C6H12O6 Hexose 179.0561 1.13 [M-H]- C6H12O6 tyrosine 180.0666 2 [M-H]- C9H11NO3 4-hydroxyphenyllactate 181.0506 11.25 [M-H]- C9H10O4 homocysteic acid 182.0129 4.8 [M-H]- C4H9NO5S 4-Pyridoxic acid 182.0459 14.14 [M-H]- C8H9NO4 3-phosphoglycerate 184.9857 13.58 [M-H]- C3H7O7P N-acetyl-glutamine 187.0724 7 [M-H]- C7H12N2O4 Acetyllysine 187.1088 1.1 [M-H]- C8H16N2O3 Kynurenic acid 188.0353 14.22 [M-H]- C10H7NO3 N-acetyl-glutamate 188.0564 13.37 [M-H]- C7H11NO5 citrate/isocitrate 191.0197 13.6 [M-H]- C6H8O7 2-dehydro-D-gluconate 193.0354 5 [M-H]- C6H10O7 D-gluconate 195.051 5 [M-H]- C6H12O7 D-erythrose-4-phosphate 199.0013 7.45 [M-H]- C4H9O7P Acetylcarnitine 202.1085 2.4 [M-H]- C9H17NO4 tryptophan 203.0826 7.5 [M-H]- C11H12N2O2 Xanthurenic acid 204.0302 14.14 [M-H]- C10H7NO4 Kynurenine 207.0775 3.6 [M-H]- C10H12N2O3 D-glucarate 209.0303 13 [M-H]- C6H10O8 deoxyribose-phosphate 213.017 7.74 [M-H]- C5H11O7P pantothenate 218.1034 11.31 [M-H]- C9H17NO5 deoxyuridine 227.0673 3.54 [M-H]- C9H12N2O5 Ribose-5-phosphate 229.0119 6.94 [M-H]- C5H11O8P Cystine 239.0166 1.29 [M-H]- C6H12N2O4S2 Tetrahydrobiopterin 240.1102 1.68 [M-H]- C9H15N5O3 cytidine 242.0782 1.2 [M-H]- C9H13N3O5 uridine 243.0623 1.7 [M-H]- C9H12N2O6 biotin 243.0809 12.92 [M-H]- C10H16N2O3S hexose-phosphate 259.0224 6.9 [M-H]- C6H13O9P thiamine 263.0972 0.94 [M-H]- C12H16N4OS 2,3-Diphosphoglyceric acid 264.952 14.68 [M-H]- C3H8O10P2 adenosine 266.0895 1.27 [M-H]- C10H13N5O4 inosine 267.0735 3.5 [M-H]- C10H12N4O5 1-Methyladenosine 280.1051 3 [M-H]- C11H15N5O4 xanthosine 283.0684 7.77 [M-H]- C10H12N4O6 D-sedoheptulose-1/7-phosphate 289.033 7.29 [M-H]- C7H15O10P L-arginino-succinate 289.1154 7.7 [M-H]- C10H18N4O6 4-phosphopantothenate 298.0697 13.94 [M-H]- C9H18NO8P N-acetyl-glucosamine 300.049 1.71 [M-H]- C8H16NO9P N-acetyl-glucosamine-1/6-phosphate 300.049 7.3 [M-H]- C8H16NO9P glutathione 306.0765 8.02 [M-H]- C10H17N3O6S UMP 323.0286 10.32 [M-H]- C9H13N2O9P cyclic-AMP 328.0452 12.97 [M-H]- C10H12N5O6P dAMP 330.0609 12 [M-H]- C10H14N5O6P trehalose/sucrose 341.1089 1.18 [M-H]- C12H22O11 thiamine-phosphate 343.0635 11.11 [M-H]- C12H17N4O4PS dGMP/AMP 346.0558 11 [M-H]- C10H14N5O7P IMP 347.0398 10.5 [M-H]- C10H13N4O8P Phenol Red 353.0489 16.91 [M-H]- C19H14O5S 4-phosphopantetheine 357.0891 12.14 [M-H]- C11H23N2O7PS GMP 362.0507 10.5 [M-H]- C10H14N5O8P orotidine-5'-phosphate 367.0184 13.58 [M-H]- C10H13N2O11P dCDP 386.016 13.58 [M-H]- C9H15N3O10P2 Octulose Bisphosphate 399.0099 13.64 [M-H]- C8H18O14P2 dTDP 401.0157 14.41 [M-H]- C10H16N2O11P2 UDP 402.9949 13.81 [M-H]- C9H14N2O12P2 dGDP/ADP 426.0221 14 [M-H]- C10H15N5O10P2 IDP 427.0062 13.9 [M-H]- C10H14N4O11P2 folate 440.1324 13.99 [M-H]- C19H19N7O6 GDP 442.017 13.9 [M-H]- C10H15N5O11P2 CDP-ethanolamine 445.0531 6.38 [M-H]- C11H20N4O11P2 dGTP/ATP 505.9885 14.77 [M-H]- C10H16N5O13P3 UDP-D-glucose 565.0478 13.44 [M-H]- C15H24N2O17P2 UDP-D-glucuronate 579.027 14.68 [M-H]- C15H22N2O18P2 UDP-N-acetyl-glucosamine 606.0743 13.37 [M-H]- C17H27N3O17P2 glutathione disulfide 611.1447 12.94 [M-H]- C20H32N6O12S2 NAD+ 662.1019 8.62 [M-H]- C21H27N7O14P2 FAD 784.1499 15 [M-H]- C27H33N9O15P2 acetyl-CoA 808.1184 16.18 [M-H]- C23H38N7O17P3S leucine 130.0874 2.22 [M-H]- C6H13NO2 isoleucine 130.0874 2.22 [M-H]- C6H13NO2 Methylcysteine 134.0281 1 [M-H]- C4H9NO2S a-ketoglutarate 145.0142 13.13 [M-H]- C5H6O5 SD 219.0623 4.08 [M-H]- C7H12N2O6 EV 243.0986 7.99 [M-H]- C10H16N2O5 IDS 332.1463 8.38 [M-H]- C13H23N3O7 DLS 332.1463 11.46 [M-H]- C13H23N3O7 fructose-1-6-bisphosphate 338.9888 13.6 [M-H]- C6H14O12P2 METABOLITES_END #END