#METABOLOMICS WORKBENCH RCulpHill_20210108_135718 DATATRACK_ID:2387 STUDY_ID:ST001644 ANALYSIS_ID:AN002689 PROJECT_ID:PR001052 VERSION 1 CREATED_ON January 12, 2021, 12:16 pm #PROJECT PR:PROJECT_TITLE In Vitro Characterization and Metabolomic Analysis of Cold-Stored Platelets PR:PROJECT_SUMMARY Platelet concentrates are currently stored at room temperature (RPs) under PR:PROJECT_SUMMARY constant agitation for up to 5-7 days depending on national regulations. PR:PROJECT_SUMMARY However, platelet quality deteriorates during storage and room temperature PR:PROJECT_SUMMARY storage also increases the risk of bacterial growth. Previous studies have shown PR:PROJECT_SUMMARY that cold-stored platelets (CPs) have higher hemostatic function and can be PR:PROJECT_SUMMARY stored for up to three weeks. While these studies have compared the metabolic PR:PROJECT_SUMMARY phenotypes of CPs and RPs, they have not compared the impact of storage PR:PROJECT_SUMMARY temperature and cold agitation (CPAs) on platelet function, nor have they PR:PROJECT_SUMMARY identified metabolic correlates to such parameters. In vitro analysis showed PR:PROJECT_SUMMARY CPAs and CPs had reduced count, faster CD62P expression and increased PR:PROJECT_SUMMARY lactadherin binding. Furthermore, CPAs and CPs had higher maximal aggregation PR:PROJECT_SUMMARY and a reduced aggregation lag phase compared to RPs. Metabolomic analysis PR:PROJECT_SUMMARY revealed CPAs and CPs exhibited lower oxidative stress shown by preserved PR:PROJECT_SUMMARY glutathione and pentose phosphate pools. CPAs and CPs also had reduced markers PR:PROJECT_SUMMARY of beta-oxidation and amino acid catabolism demonstrating reduced needs for PR:PROJECT_SUMMARY energy. Agitation did not significantly impact in vitro function or metabolomic PR:PROJECT_SUMMARY parameters of cold-stored platelets. Correlation of in vitro and metabolomic PR:PROJECT_SUMMARY results highlighted important metabolites that may contribute to stored platelet PR:PROJECT_SUMMARY functions. PR:INSTITUTE University of Colorado Anschutz Medical Campus PR:DEPARTMENT Biochemistry and Molecular Genetics PR:LABORATORY Angelo D'Alessandro PR:LAST_NAME D'Alessandro PR:FIRST_NAME Angelo PR:ADDRESS 12801 E 17th Ave L18-9403D, Aurora, Colorado, 80045, USA PR:EMAIL angelo.dalessandro@cuanschutz.edu PR:PHONE 303-724-5798 #STUDY ST:STUDY_TITLE In Vitro Characterization and Metabolomic Analysis of Cold-Stored Platelets ST:STUDY_SUMMARY Platelet concentrates are currently stored at room temperature (RPs) under ST:STUDY_SUMMARY constant agitation for up to 5-7 days depending on national regulations. ST:STUDY_SUMMARY However, platelet quality deteriorates during storage and room temperature ST:STUDY_SUMMARY storage also increases the risk of bacterial growth. Previous studies have shown ST:STUDY_SUMMARY that cold-stored platelets (CPs) have higher hemostatic function and can be ST:STUDY_SUMMARY stored for up to three weeks. While these studies have compared the metabolic ST:STUDY_SUMMARY phenotypes of CPs and RPs, they have not compared the impact of storage ST:STUDY_SUMMARY temperature and cold agitation (CPAs) on platelet function, nor have they ST:STUDY_SUMMARY identified metabolic correlates to such parameters. In vitro analysis showed ST:STUDY_SUMMARY CPAs and CPs had reduced count, faster CD62P expression and increased ST:STUDY_SUMMARY lactadherin binding. Furthermore, CPAs and CPs had higher maximal aggregation ST:STUDY_SUMMARY and a reduced aggregation lag phase compared to RPs. Metabolomic analysis ST:STUDY_SUMMARY revealed CPAs and CPs exhibited lower oxidative stress shown by preserved ST:STUDY_SUMMARY glutathione and pentose phosphate pools. CPAs and CPs also had reduced markers ST:STUDY_SUMMARY of beta-oxidation and amino acid catabolism demonstrating reduced needs for ST:STUDY_SUMMARY energy. Agitation did not significantly impact in vitro function or metabolomic ST:STUDY_SUMMARY parameters of cold-stored platelets. Correlation of in vitro and metabolomic ST:STUDY_SUMMARY results highlighted important metabolites that may contribute to stored platelet ST:STUDY_SUMMARY functions. ST:INSTITUTE University of Colorado Anschutz Medical Campus ST:DEPARTMENT Biochemistry and Molecular Genetics ST:LABORATORY Angelo D'Alessandro ST:LAST_NAME D'Alessandro ST:FIRST_NAME Angelo ST:ADDRESS 12801 E 17th Ave L18-9403D ST:EMAIL angelo.dalessandro@cuanschutz.edu ST:PHONE 3037245798 ST:NUM_GROUPS 3 ST:TOTAL_SUBJECTS 8 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #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 B1 1_B1_D1_RT+ Treatment:RT | Day:1 RAW_FILE_NAME=1_B1_D1_RT+ SUBJECT_SAMPLE_FACTORS B2 11_B2_D1_RT+ Treatment:RT | Day:1 RAW_FILE_NAME=11_B2_D1_RT+ SUBJECT_SAMPLE_FACTORS B3 21_B3_D1_RT+ Treatment:RT | Day:1 RAW_FILE_NAME=21_B3_D1_RT+ SUBJECT_SAMPLE_FACTORS B4 31_B4_D1_RT+ Treatment:RT | Day:1 RAW_FILE_NAME=31_B4_D1_RT+ SUBJECT_SAMPLE_FACTORS B5 41_B5_D1_RT+ Treatment:RT | Day:1 RAW_FILE_NAME=41_B5_D1_RT+ 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RAW_FILE_NAME=67_B7_D7_4NS- SUBJECT_SAMPLE_FACTORS B8 77_B8_D7_4NS- Treatment:4NS | Day:7 RAW_FILE_NAME=77_B8_D7_4NS- SUBJECT_SAMPLE_FACTORS B1 10_B1_D14_4NS- Treatment:4NS | Day:14 RAW_FILE_NAME=10_B1_D14_4NS- SUBJECT_SAMPLE_FACTORS B2 20_B2_D14_4NS- Treatment:4NS | Day:14 RAW_FILE_NAME=20_B2_D14_4NS- SUBJECT_SAMPLE_FACTORS B3 30_B3_D14_4NS- Treatment:4NS | Day:14 RAW_FILE_NAME=30_B3_D14_4NS- SUBJECT_SAMPLE_FACTORS B4 40_B4_D14_4NS- Treatment:4NS | Day:14 RAW_FILE_NAME=40_B4_D14_4NS- SUBJECT_SAMPLE_FACTORS B5 50_B5_D14_4NS- Treatment:4NS | Day:14 RAW_FILE_NAME=50_B5_D14_4NS- SUBJECT_SAMPLE_FACTORS B6 60_B6_D14_4NS- Treatment:4NS | Day:14 RAW_FILE_NAME=60_B6_D14_4NS- SUBJECT_SAMPLE_FACTORS B7 70_B7_D14_4NS- Treatment:4NS | Day:14 RAW_FILE_NAME=70_B7_D14_4NS- SUBJECT_SAMPLE_FACTORS B8 80_B8_D14_4NS- Treatment:4NS | Day:14 RAW_FILE_NAME=80_B8_D14_4NS- #COLLECTION CO:COLLECTION_SUMMARY Whole blood was collected by Canadian Blood Services from donors providing CO:COLLECTION_SUMMARY signed informed consent. Buffy coat platelet concentrates suspended in plasma CO:COLLECTION_SUMMARY were produced by the Canadian Blood Services Blood4Research Facility in CO:COLLECTION_SUMMARY Vancouver, Canada. For each biological replicate, three buffy coat platelet CO:COLLECTION_SUMMARY units were pooled and split into three identical platelet units to minimize the CO:COLLECTION_SUMMARY effect of donor variability. One unit (RP) was stored at 22°C under constant CO:COLLECTION_SUMMARY agitation (Helmer Scientific, PC1200-Pro Platelet Incubator, Noblesville, IN). CO:COLLECTION_SUMMARY One unit (CPA) was stored in a walk-in fridge (4°C) in a platelet agitator CO:COLLECTION_SUMMARY (Forma platelet agitator, Thermo Electron Corporation. Waltham, MA). The last CO:COLLECTION_SUMMARY unit (CP) was stored in walk-in fridge (4°C) without agitation. Platelet units CO:COLLECTION_SUMMARY were sampled through a coupling port (Fresenius Kabi, Bad Homburg, Germany) CO:COLLECTION_SUMMARY using a sterile syringe in a biosafety cabinet. Platelet units were sampled on CO:COLLECTION_SUMMARY days 1, 2, 4, 7, 9, 11, and 14 of storage. This study was approved by both the CO:COLLECTION_SUMMARY University of British Columbia Ethics Committee (H17-02708) and the Canadian CO:COLLECTION_SUMMARY Blood Services Ethics Board (2018-003). CO:SAMPLE_TYPE Platelets #TREATMENT TR:TREATMENT_SUMMARY Whole blood was collected by Canadian Blood Services from donors providing TR:TREATMENT_SUMMARY signed informed consent. Buffy coat platelet concentrates suspended in plasma TR:TREATMENT_SUMMARY were produced by the Canadian Blood Services Blood4Research Facility in TR:TREATMENT_SUMMARY Vancouver, Canada. For each biological replicate, three buffy coat platelet TR:TREATMENT_SUMMARY units were pooled and split into three identical platelet units to minimize the TR:TREATMENT_SUMMARY effect of donor variability. One unit (RP) was stored at 22°C under constant TR:TREATMENT_SUMMARY agitation (Helmer Scientific, PC1200-Pro Platelet Incubator, Noblesville, IN). TR:TREATMENT_SUMMARY One unit (CPA) was stored in a walk-in fridge (4°C) in a platelet agitator TR:TREATMENT_SUMMARY (Forma platelet agitator, Thermo Electron Corporation. Waltham, MA). The last TR:TREATMENT_SUMMARY unit (CP) was stored in walk-in fridge (4°C) without agitation. Platelet units TR:TREATMENT_SUMMARY were sampled through a coupling port (Fresenius Kabi, Bad Homburg, Germany) TR:TREATMENT_SUMMARY using a sterile syringe in a biosafety cabinet. Platelet units were sampled on TR:TREATMENT_SUMMARY days 1, 2, 4, 7, 9, 11, and 14 of storage. This study was approved by both the TR:TREATMENT_SUMMARY University of British Columbia Ethics Committee (H17-02708) and the Canadian TR:TREATMENT_SUMMARY Blood Services Ethics Board (2018-003). #SAMPLEPREP SP:SAMPLEPREP_SUMMARY A volume of 50μl of platelet concentrates were extracted at a 1:10 dilution in SP:SAMPLEPREP_SUMMARY methanol:acetonitrile:water (5:3:2, v/v/v). After vortexing at 4°C for 30 min, SP:SAMPLEPREP_SUMMARY extracts were separated from the protein pellet by centrifugation for 10 min at SP:SAMPLEPREP_SUMMARY 10,000g at 4°C and stored at −80°C until analysis. For polar metabolites, SP:SAMPLEPREP_SUMMARY half of the extracts were dried down via SpeedVac prior to resuspension in ddH2O SP:SAMPLEPREP_SUMMARY + 0.1% formic acid, to facilitate ionization and chromatographic resolution of SP:SAMPLEPREP_SUMMARY certain polar metabolites (e.g., betaine, kyurenine, etc.). #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY UHPLC-MS metabolomics analyses were performed as described,(1, 3) using a CH:CHROMATOGRAPHY_SUMMARY Vanquish UHPLC system coupled online to a high-resolution Q Exactive mass CH:CHROMATOGRAPHY_SUMMARY spectrometer (Thermo Fisher, Bremen, Germany). Samples were resolved over a CH:CHROMATOGRAPHY_SUMMARY Kinetex C18 column (2.1x150 mm, 1.7 µm; Phenomenex, Torrance, CA, USA) at CH:CHROMATOGRAPHY_SUMMARY 45°C. A volume of 10 μl of sample extracts was injected into the UHPLC-MS. CH:CHROMATOGRAPHY_SUMMARY Each sample was injected and run with two different chromatographic and MS CH:CHROMATOGRAPHY_SUMMARY conditions using a 5 minute gradient at 450 µL/minute from 5-95% B (A: 5% CH:CHROMATOGRAPHY_SUMMARY acetonitrile, 95%water/1 mM ammonium acetate; B:95%acetonitrile/5% water, 1 mM CH:CHROMATOGRAPHY_SUMMARY ammonium acetate) and the MS was operated in negative ion mode. 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 The UHPLC system was coupled online with a Q Exactive (Thermo, San Jose, CA, MS:MS_COMMENTS USA) scanning in Full MS mode at 70,000 resolution in the 60-900 m/z range, 4 kV MS:MS_COMMENTS spray voltage, 15 sheath gas and 5 auxiliary gas, operated in negative or MS:MS_COMMENTS positive ion mode (separate runs). #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Relative Abundance MS_METABOLITE_DATA_START Samples 1_B1_D1_RT- 11_B2_D1_RT- 21_B3_D1_RT- 31_B4_D1_RT- 41_B5_D1_RT- 51_B6_D1_RT- 61_B7_D1_RT- 71_B8_D1_RT- 2_B1_D2_RT- 12_B2_D2_RT- 22_B3_D2_RT- 32_B4_D2_RT- 42_B5_D2_RT- 52_B6_D2_RT- 62_B7_D2_RT- 72_B8_D2_RT- 5_B1_D7_RT- 15_B2_D7_RT- 25_B3_D7_RT- 35_B4_D7_RT- 45_B5_D7_RT- 55_B6_D7_RT- 65_B7_D7_RT- 75_B8_D7_RT- 8_B1_D14_RT- 18_B2_D14_RT- 28_B3_D14_RT- 38_B4_D14_RT- 48_B5_D14_RT- 58_B6_D14_RT- 68_B7_D14_RT- 78_B8_D14_RT- 3_B1_D2_4S- 13_B2_D2_4S- 23_B3_D2_4S- 33_B4_D2_4S- 43_B5_D2_4S- 53_B6_D2_4S- 63_B7_D2_4S- 73_B8_D2_4S- 6_B1_D7_4S- 16_B2_D7_4S- 26_B3_D7_4S- 36_B4_D7_4S- 46_B5_D7_4S- 56_B6_D7_4S- 66_B7_D7_4S- 76_B8_D7_4S- 9_B1_D14_4S- 19_B2_D14_4S- 29_B3_D14_4S- 39_B4_D14_4S- 49_B5_D14_4S- 59_B6_D14_4S- 69_B7_D14_4S- 79_B8_D14_4S- 4_B1_D2_4NS- 14_B2_D2_4NS- 24_B3_D2_4NS- 34_B4_D2_4NS- 44_B5_D2_4NS- 54_B6_D2_4NS- 64_B7_D2_4NS- 74_B8_D2_4NS- 7_B1_D7_4NS- 17_B2_D7_4NS- 27_B3_D7_4NS- 37_B4_D7_4NS- 47_B5_D7_4NS- 57_B6_D7_4NS- 67_B7_D7_4NS- 77_B8_D7_4NS- 10_B1_D14_4NS- 20_B2_D14_4NS- 30_B3_D14_4NS- 40_B4_D14_4NS- 50_B5_D14_4NS- 60_B6_D14_4NS- 70_B7_D14_4NS- 80_B8_D14_4NS- Factors Treatment:RT | Day:1 Treatment:RT | Day:1 Treatment:RT | Day:1 Treatment:RT | Day:1 Treatment:RT | Day:1 Treatment:RT | Day:1 Treatment:RT | Day:1 Treatment:RT | Day:1 Treatment:RT | Day:2 Treatment:RT | Day:2 Treatment:RT | Day:2 Treatment:RT | Day:2 Treatment:RT | Day:2 Treatment:RT | Day:2 Treatment:RT | Day:2 Treatment:RT | Day:2 Treatment:RT | Day:7 Treatment:RT | Day:7 Treatment:RT | Day:7 Treatment:RT | Day:7 Treatment:RT | Day:7 Treatment:RT | Day:7 Treatment:RT | Day:7 Treatment:RT | Day:7 Treatment:RT | Day:14 Treatment:RT | Day:14 Treatment:RT | Day:14 Treatment:RT | Day:14 Treatment:RT | Day:14 Treatment:RT | Day:14 Treatment:RT | Day:14 Treatment:RT | Day:14 Treatment:4S | Day:2 Treatment:4S | Day:2 Treatment:4S | Day:2 Treatment:4S | Day:2 Treatment:4S | Day:2 Treatment:4S | Day:2 Treatment:4S | Day:2 Treatment:4S | Day:2 Treatment:4S | Day:7 Treatment:4S | Day:7 Treatment:4S | Day:7 Treatment:4S | Day:7 Treatment:4S | Day:7 Treatment:4S | Day:7 Treatment:4S | Day:7 Treatment:4S | Day:7 Treatment:4S | Day:14 Treatment:4S | Day:14 Treatment:4S | Day:14 Treatment:4S | Day:14 Treatment:4S | Day:14 Treatment:4S | Day:14 Treatment:4S | Day:14 Treatment:4S | Day:14 Treatment:4NS | Day:2 Treatment:4NS | Day:2 Treatment:4NS | Day:2 Treatment:4NS | Day:2 Treatment:4NS | Day:2 Treatment:4NS | Day:2 Treatment:4NS | Day:2 Treatment:4NS | Day:2 Treatment:4NS | Day:7 Treatment:4NS | Day:7 Treatment:4NS | Day:7 Treatment:4NS | Day:7 Treatment:4NS | Day:7 Treatment:4NS | Day:7 Treatment:4NS | Day:7 Treatment:4NS | Day:7 Treatment:4NS | Day:14 Treatment:4NS | Day:14 Treatment:4NS | Day:14 Treatment:4NS | Day:14 Treatment:4NS | Day:14 Treatment:4NS | Day:14 Treatment:4NS | Day:14 Treatment:4NS | Day:14 ATP 1130000.00 1020000.00 943000.00 1070000.00 1260000.00 1550000.00 1530000.00 1100000.00 1190000.00 908000.00 1400000.00 939000.00 1150000.00 1210000.00 1180000.00 1670000.00 1200000.00 872000.00 891000.00 1030000.00 905000.00 955000.00 848000.00 938000.00 416000.00 251000.00 387000.00 292000.00 501000.00 605000.00 371000.00 768000.00 1650000.00 1120000.00 1200000.00 1060000.00 995000.00 1390000.00 1470000.00 1410000.00 948000.00 932000.00 1120000.00 929000.00 622000.00 588000.00 691000.00 766000.00 547000.00 479000.00 626000.00 516000.00 614000.00 717000.00 541000.00 508000.00 1280000.00 964000.00 1080000.00 973000.00 1140000.00 1240000.00 1130000.00 1280000.00 950000.00 708000.00 772000.00 463000.00 1060000.00 1030000.00 793000.00 836000.00 433000.00 588000.00 753000.00 637000.00 718000.00 691000.00 729000.00 537000.00 ADP 1180000.00 944000.00 1240000.00 1090000.00 1260000.00 1130000.00 1490000.00 1070000.00 1100000.00 987000.00 1220000.00 787000.00 1230000.00 1080000.00 1100000.00 949000.00 923000.00 755000.00 742000.00 672000.00 719000.00 926000.00 764000.00 867000.00 330000.00 346000.00 415000.00 403000.00 454000.00 439000.00 287000.00 552000.00 1430000.00 923000.00 1060000.00 872000.00 1010000.00 1300000.00 887000.00 1090000.00 1010000.00 779000.00 911000.00 633000.00 695000.00 665000.00 644000.00 648000.00 611000.00 548000.00 575000.00 568000.00 401000.00 530000.00 326000.00 613000.00 1170000.00 934000.00 1100000.00 937000.00 1170000.00 1100000.00 1090000.00 1280000.00 785000.00 700000.00 756000.00 406000.00 969000.00 872000.00 727000.00 770000.00 446000.00 575000.00 701000.00 442000.00 597000.00 621000.00 614000.00 507000.00 AMP 533000.00 446000.00 545000.00 384000.00 490000.00 484000.00 361000.00 575000.00 465000.00 477000.00 476000.00 477000.00 494000.00 539000.00 431000.00 703000.00 417000.00 340000.00 440000.00 451000.00 374000.00 610000.00 519000.00 648000.00 306000.00 227000.00 299000.00 198000.00 253000.00 242000.00 402000.00 312000.00 457000.00 423000.00 551000.00 418000.00 458000.00 469000.00 528000.00 571000.00 503000.00 413000.00 500000.00 496000.00 410000.00 413000.00 510000.00 592000.00 369000.00 308000.00 348000.00 296000.00 410000.00 289000.00 385000.00 418000.00 516000.00 395000.00 450000.00 453000.00 533000.00 434000.00 480000.00 740000.00 416000.00 422000.00 506000.00 270000.00 417000.00 489000.00 453000.00 665000.00 309000.00 272000.00 325000.00 284000.00 324000.00 338000.00 427000.00 463000.00 GDP 339000.00 322000.00 277000.00 210000.00 377000.00 332000.00 376000.00 394000.00 365000.00 262000.00 385000.00 349000.00 381000.00 320000.00 417000.00 470000.00 139000.00 172000.00 163000.00 172000.00 157000.00 247000.00 263000.00 277000.00 104000.00 115000.00 164000.00 143000.00 167000.00 192000.00 179000.00 120000.00 341000.00 269000.00 310000.00 240000.00 176000.00 352000.00 344000.00 375000.00 250000.00 299000.00 247000.00 176000.00 182000.00 253000.00 203000.00 363000.00 161000.00 131000.00 239000.00 234000.00 213000.00 167000.00 127000.00 224000.00 370000.00 337000.00 371000.00 353000.00 355000.00 359000.00 354000.00 356000.00 261000.00 153000.00 297000.00 89400.00 282000.00 268000.00 214000.00 344000.00 208000.00 171000.00 251000.00 118000.00 157000.00 266000.00 241000.00 161000.00 Thymidine 175000.00 156000.00 231000.00 169000.00 156000.00 146000.00 169000.00 88100.00 150000.00 181000.00 145000.00 155000.00 120000.00 159000.00 135000.00 115000.00 126000.00 115000.00 105000.00 123000.00 144000.00 88100.00 114000.00 107000.00 61400.00 87300.00 54000.00 72600.00 96200.00 79800.00 91500.00 100000.00 148000.00 153000.00 143000.00 152000.00 135000.00 204000.00 140000.00 144000.00 165000.00 126000.00 145000.00 153000.00 138000.00 157000.00 155000.00 115000.00 105000.00 124000.00 107000.00 105000.00 92900.00 87400.00 138000.00 127000.00 167000.00 163000.00 185000.00 160000.00 155000.00 163000.00 166000.00 174000.00 113000.00 181000.00 122000.00 120000.00 128000.00 103000.00 132000.00 126000.00 130000.00 156000.00 130000.00 112000.00 93500.00 131000.00 139000.00 119000.00 UDP 524000.00 416000.00 600000.00 515000.00 395000.00 347000.00 550000.00 490000.00 554000.00 449000.00 560000.00 484000.00 452000.00 487000.00 407000.00 313000.00 577000.00 631000.00 339000.00 250000.00 500000.00 457000.00 648000.00 572000.00 523000.00 712000.00 688000.00 660000.00 643000.00 610000.00 353000.00 703000.00 426000.00 532000.00 496000.00 494000.00 400000.00 488000.00 256000.00 522000.00 623000.00 415000.00 422000.00 339000.00 412000.00 475000.00 484000.00 505000.00 575000.00 601000.00 584000.00 552000.00 221000.00 379000.00 625000.00 577000.00 458000.00 548000.00 494000.00 518000.00 482000.00 515000.00 519000.00 427000.00 544000.00 564000.00 569000.00 528000.00 437000.00 378000.00 484000.00 444000.00 582000.00 583000.00 619000.00 468000.00 447000.00 447000.00 586000.00 553000.00 UMP 154000.00 99900.00 120000.00 143000.00 116000.00 81100.00 120000.00 182000.00 175000.00 79900.00 114000.00 134000.00 120000.00 122000.00 85900.00 71800.00 90100.00 71200.00 84600.00 51800.00 73500.00 59500.00 184000.00 156000.00 12700.00 68400.00 46700.00 26400.00 69000.00 37800.00 29400.00 48800.00 119000.00 89800.00 86600.00 114000.00 120000.00 108000.00 92800.00 166000.00 94000.00 79900.00 55400.00 45200.00 85900.00 105000.00 112000.00 147000.00 68800.00 82200.00 110000.00 33600.00 41900.00 35100.00 87000.00 98800.00 116000.00 120000.00 121000.00 97900.00 123000.00 135000.00 170000.00 97300.00 72100.00 88500.00 108000.00 41200.00 113000.00 93400.00 121000.00 98800.00 90600.00 72200.00 93500.00 71200.00 41900.00 36800.00 93100.00 51100.00 Inosine 444000.00 457000.00 479000.00 339000.00 420000.00 548000.00 432000.00 375000.00 231000.00 340000.00 242000.00 229000.00 289000.00 223000.00 376000.00 207000.00 213000.00 164000.00 132000.00 170000.00 186000.00 195000.00 175000.00 210000.00 78700.00 85800.00 96300.00 103000.00 113000.00 85400.00 117000.00 120000.00 435000.00 364000.00 345000.00 325000.00 474000.00 412000.00 563000.00 329000.00 363000.00 366000.00 310000.00 322000.00 294000.00 339000.00 359000.00 292000.00 264000.00 219000.00 190000.00 315000.00 313000.00 303000.00 363000.00 224000.00 405000.00 478000.00 332000.00 359000.00 446000.00 412000.00 502000.00 493000.00 320000.00 330000.00 309000.00 250000.00 293000.00 356000.00 312000.00 301000.00 301000.00 238000.00 229000.00 265000.00 282000.00 228000.00 353000.00 262000.00 Urate 14400000.00 13900000.00 13100000.00 14800000.00 13900000.00 15200000.00 15900000.00 16200000.00 12800000.00 16900000.00 12500000.00 14600000.00 13300000.00 14900000.00 18500000.00 17000000.00 12700000.00 11800000.00 14300000.00 18000000.00 13300000.00 15200000.00 13600000.00 15600000.00 15300000.00 10100000.00 12500000.00 13700000.00 12400000.00 14400000.00 19300000.00 14300000.00 14400000.00 13600000.00 14500000.00 13900000.00 14100000.00 14300000.00 20800000.00 14300000.00 12500000.00 14900000.00 14100000.00 16000000.00 12700000.00 14200000.00 17600000.00 13400000.00 12300000.00 12600000.00 9920000.00 13700000.00 14600000.00 14900000.00 17500000.00 13900000.00 16900000.00 14300000.00 13400000.00 14300000.00 11800000.00 12500000.00 15400000.00 17100000.00 15400000.00 12300000.00 11400000.00 14000000.00 13100000.00 15000000.00 16400000.00 15800000.00 12200000.00 12200000.00 12300000.00 16100000.00 13400000.00 16600000.00 15500000.00 15200000.00 5-6-Dihydrothymine 894000.00 628000.00 754000.00 748000.00 725000.00 764000.00 674000.00 678000.00 753000.00 702000.00 617000.00 680000.00 604000.00 779000.00 619000.00 511000.00 440000.00 289000.00 289000.00 304000.00 309000.00 440000.00 285000.00 307000.00 186000.00 158000.00 159000.00 240000.00 127000.00 241000.00 165000.00 163000.00 775000.00 710000.00 700000.00 783000.00 737000.00 769000.00 614000.00 652000.00 679000.00 638000.00 590000.00 612000.00 528000.00 628000.00 585000.00 536000.00 528000.00 557000.00 576000.00 613000.00 424000.00 614000.00 561000.00 488000.00 778000.00 755000.00 658000.00 878000.00 644000.00 856000.00 660000.00 633000.00 758000.00 672000.00 606000.00 515000.00 493000.00 658000.00 470000.00 528000.00 571000.00 455000.00 538000.00 636000.00 526000.00 665000.00 532000.00 461000.00 Pyridoxamine 5'-phosphate 4540.00 8330.00 11800.00 20300.00 18900.00 25100.00 27900.00 25100.00 14900.00 10100.00 10700.00 12800.00 12700.00 16200.00 34400.00 36100.00 8660.00 9440.00 7310.00 16800.00 13400.00 19200.00 17700.00 14600.00 13500.00 12700.00 10700.00 17200.00 11000.00 13900.00 41200.00 18600.00 5100.00 6260.00 11500.00 16500.00 11500.00 14300.00 30800.00 22200.00 2620.00 13800.00 9530.00 16000.00 18000.00 18400.00 31500.00 21500.00 10500.00 4820.00 8750.00 9230.00 12200.00 13800.00 30300.00 17900.00 8910.00 12300.00 8170.00 18100.00 9930.00 16700.00 28700.00 28200.00 7460.00 14600.00 6660.00 13200.00 14700.00 16800.00 27000.00 19400.00 7780.00 8510.00 9630.00 14600.00 10200.00 14800.00 25300.00 23900.00 Nicotinate ribonucleotide 1930000.00 1810000.00 2030000.00 1740000.00 1610000.00 1900000.00 1850000.00 1610000.00 1670000.00 2450000.00 1980000.00 2070000.00 2040000.00 2080000.00 2400000.00 1410000.00 3670000.00 3280000.00 2570000.00 2700000.00 3250000.00 3620000.00 3480000.00 3500000.00 4790000.00 5150000.00 5260000.00 6490000.00 4730000.00 4620000.00 3780000.00 5830000.00 2090000.00 1820000.00 2300000.00 1880000.00 1980000.00 1750000.00 1890000.00 2000000.00 2840000.00 2830000.00 2770000.00 2340000.00 2100000.00 2640000.00 2490000.00 2500000.00 3090000.00 3620000.00 3690000.00 3360000.00 2500000.00 3020000.00 3540000.00 3720000.00 2240000.00 2160000.00 2090000.00 1990000.00 1790000.00 1510000.00 2010000.00 2380000.00 2910000.00 2540000.00 2780000.00 3830000.00 2150000.00 2060000.00 2060000.00 2880000.00 3550000.00 3360000.00 3470000.00 3450000.00 3010000.00 3320000.00 3150000.00 3810000.00 Phosphate 97900000.00 87500000.00 101000000.00 94300000.00 92700000.00 100000000.00 95100000.00 106000000.00 102000000.00 95700000.00 104000000.00 97700000.00 102000000.00 88900000.00 89000000.00 86100000.00 106000000.00 101000000.00 81400000.00 78900000.00 88700000.00 80700000.00 101000000.00 97800000.00 86100000.00 87300000.00 77400000.00 91100000.00 84600000.00 89700000.00 90300000.00 102000000.00 86000000.00 97400000.00 86700000.00 99300000.00 105000000.00 105000000.00 97400000.00 99800000.00 92800000.00 93600000.00 88800000.00 87800000.00 87200000.00 93700000.00 81100000.00 103000000.00 94900000.00 90200000.00 91900000.00 94600000.00 73300000.00 90200000.00 93900000.00 87600000.00 101000000.00 105000000.00 92100000.00 88900000.00 107000000.00 101000000.00 101000000.00 86400000.00 97000000.00 99500000.00 96100000.00 96400000.00 89000000.00 93700000.00 86700000.00 92500000.00 94200000.00 79300000.00 97700000.00 86400000.00 94000000.00 93200000.00 108000000.00 98700000.00 Diphosphate 10400000.00 8680000.00 12200000.00 10500000.00 10800000.00 10900000.00 10800000.00 11500000.00 11100000.00 9660000.00 11700000.00 11100000.00 10500000.00 10300000.00 8890000.00 7830000.00 12200000.00 10400000.00 7100000.00 6810000.00 8270000.00 7860000.00 11400000.00 11000000.00 7050000.00 9450000.00 6780000.00 8700000.00 7010000.00 8280000.00 6100000.00 9370000.00 9880000.00 11100000.00 9990000.00 11000000.00 10100000.00 11500000.00 9380000.00 10200000.00 12000000.00 10800000.00 8480000.00 7860000.00 7130000.00 10700000.00 10200000.00 10700000.00 11400000.00 7580000.00 10700000.00 10300000.00 5730000.00 9400000.00 11000000.00 9760000.00 9440000.00 11700000.00 9830000.00 12000000.00 10300000.00 11200000.00 10500000.00 8490000.00 10300000.00 11700000.00 10500000.00 9820000.00 8920000.00 10100000.00 9380000.00 10100000.00 11300000.00 10800000.00 10500000.00 10800000.00 8570000.00 9490000.00 11200000.00 9810000.00 D-Glucose 71500000.00 63800000.00 83900000.00 66500000.00 75000000.00 72400000.00 72600000.00 64400000.00 66400000.00 75000000.00 69800000.00 68700000.00 66100000.00 67000000.00 81500000.00 73500000.00 63600000.00 56600000.00 53500000.00 55100000.00 62200000.00 61600000.00 52200000.00 49600000.00 33600000.00 35500000.00 38400000.00 37200000.00 38000000.00 33600000.00 40100000.00 35500000.00 75800000.00 66100000.00 60500000.00 69500000.00 66300000.00 74500000.00 70500000.00 62800000.00 65100000.00 67200000.00 67400000.00 72000000.00 62800000.00 67200000.00 70000000.00 57300000.00 61300000.00 56300000.00 54200000.00 60700000.00 60600000.00 56300000.00 62500000.00 55300000.00 71600000.00 70600000.00 74300000.00 73100000.00 65900000.00 65400000.00 66700000.00 71400000.00 65400000.00 65700000.00 59400000.00 58500000.00 59200000.00 63900000.00 60600000.00 62200000.00 56400000.00 57600000.00 60200000.00 55500000.00 58500000.00 63300000.00 60600000.00 59700000.00 D-Glucose 6-phosphate 1840000.00 1510000.00 2030000.00 1720000.00 1930000.00 1920000.00 2130000.00 2320000.00 1800000.00 1670000.00 2190000.00 1790000.00 1980000.00 1650000.00 1800000.00 2340000.00 2220000.00 1550000.00 1630000.00 2110000.00 1940000.00 2350000.00 2310000.00 2890000.00 1840000.00 1210000.00 1560000.00 1320000.00 1420000.00 1570000.00 1760000.00 2160000.00 2060000.00 1750000.00 2050000.00 1850000.00 2100000.00 2050000.00 2110000.00 2700000.00 1780000.00 1870000.00 2070000.00 1640000.00 1760000.00 1900000.00 2360000.00 2020000.00 1240000.00 1340000.00 1470000.00 1400000.00 1180000.00 1450000.00 1250000.00 1890000.00 2240000.00 1690000.00 1920000.00 2070000.00 2540000.00 2250000.00 2310000.00 2770000.00 1810000.00 1690000.00 1990000.00 1240000.00 1810000.00 1920000.00 1730000.00 2550000.00 1500000.00 1220000.00 1450000.00 1190000.00 1150000.00 1310000.00 1480000.00 2250000.00 D-Glyceraldehyde 3-phosphate/Glycerone phosphate 28200.00 25100.00 23500.00 24000.00 30600.00 58800.00 24900.00 37700.00 15100.00 46500.00 16300.00 23100.00 24800.00 15800.00 75200.00 41400.00 134000.00 89100.00 24700.00 71300.00 40100.00 104000.00 80100.00 67300.00 162000.00 55100.00 117000.00 86100.00 115000.00 94000.00 174000.00 98700.00 46300.00 17400.00 28900.00 35100.00 29700.00 23000.00 42400.00 65400.00 77800.00 17100.00 18300.00 38200.00 27100.00 119000.00 19400.00 29800.00 176000.00 51800.00 126000.00 149000.00 155000.00 123000.00 115000.00 146000.00 14800.00 27200.00 41500.00 14600.00 6220.00 38100.00 19700.00 42700.00 92500.00 63600.00 27300.00 218000.00 18800.00 99800.00 54600.00 65000.00 179000.00 109000.00 174000.00 109000.00 122000.00 157000.00 146000.00 243000.00 1-3-Bisphosphoglycerate 15200.00 2420.00 3500.00 13700.00 30800.00 5590.00 17600.00 5900.00 4010.00 10200.00 9840.00 1330.00 30600.00 3680.00 6710.00 6970.00 42600.00 20400.00 22100.00 8040.00 131000.00 18100.00 38200.00 20900.00 4230.00 782.00 6290.00 7030.00 45100.00 2360.00 8820.00 4120.00 11500.00 4030.00 10100.00 3620.00 46600.00 24300.00 7740.00 17500.00 37800.00 43600.00 72700.00 21100.00 187000.00 76000.00 47300.00 39900.00 157000.00 54600.00 80100.00 101000.00 298000.00 102000.00 142000.00 42300.00 9350.00 7040.00 23700.00 13000.00 61600.00 13300.00 16900.00 11300.00 45800.00 28000.00 46600.00 38200.00 72200.00 30300.00 25000.00 28700.00 99300.00 123000.00 52700.00 43000.00 196000.00 91800.00 114000.00 125000.00 2/3-Phospho-D-glycerate 171000000.00 190000000.00 183000000.00 177000000.00 175000000.00 170000000.00 174000000.00 180000000.00 206000000.00 212000000.00 196000000.00 185000000.00 180000000.00 214000000.00 206000000.00 215000000.00 318000000.00 320000000.00 340000000.00 323000000.00 259000000.00 296000000.00 301000000.00 337000000.00 553000000.00 477000000.00 526000000.00 542000000.00 449000000.00 518000000.00 513000000.00 511000000.00 194000000.00 213000000.00 198000000.00 184000000.00 197000000.00 181000000.00 196000000.00 216000000.00 256000000.00 260000000.00 266000000.00 223000000.00 246000000.00 250000000.00 243000000.00 253000000.00 340000000.00 338000000.00 361000000.00 292000000.00 316000000.00 306000000.00 339000000.00 340000000.00 216000000.00 216000000.00 209000000.00 181000000.00 177000000.00 175000000.00 196000000.00 211000000.00 262000000.00 241000000.00 254000000.00 355000000.00 257000000.00 249000000.00 235000000.00 279000000.00 321000000.00 325000000.00 318000000.00 331000000.00 312000000.00 304000000.00 292000000.00 324000000.00 Pyruvate 27600000.00 26800000.00 28300000.00 21800000.00 31500000.00 29500000.00 30400000.00 24100000.00 25600000.00 26600000.00 26400000.00 29500000.00 26200000.00 26500000.00 30000000.00 21600000.00 27600000.00 23400000.00 21200000.00 26200000.00 28300000.00 28800000.00 23800000.00 28400000.00 27600000.00 27300000.00 25400000.00 29900000.00 22300000.00 25100000.00 25800000.00 29300000.00 26500000.00 27900000.00 25900000.00 24800000.00 23500000.00 23500000.00 28600000.00 30400000.00 30200000.00 30800000.00 30700000.00 26500000.00 28800000.00 26800000.00 33100000.00 28900000.00 23800000.00 23900000.00 29500000.00 25900000.00 24100000.00 25800000.00 27500000.00 28900000.00 25200000.00 28300000.00 26000000.00 29600000.00 21100000.00 29300000.00 26500000.00 28300000.00 34500000.00 25800000.00 24400000.00 29200000.00 28500000.00 28800000.00 28800000.00 27500000.00 29600000.00 27800000.00 28300000.00 26500000.00 28400000.00 25000000.00 24200000.00 28800000.00 Lactate 171000000.00 190000000.00 183000000.00 177000000.00 175000000.00 170000000.00 174000000.00 180000000.00 206000000.00 212000000.00 196000000.00 185000000.00 180000000.00 214000000.00 206000000.00 215000000.00 318000000.00 320000000.00 340000000.00 323000000.00 259000000.00 296000000.00 301000000.00 337000000.00 553000000.00 477000000.00 526000000.00 542000000.00 449000000.00 518000000.00 513000000.00 511000000.00 194000000.00 213000000.00 198000000.00 184000000.00 197000000.00 181000000.00 196000000.00 216000000.00 256000000.00 260000000.00 266000000.00 223000000.00 246000000.00 250000000.00 243000000.00 253000000.00 340000000.00 338000000.00 361000000.00 292000000.00 316000000.00 306000000.00 339000000.00 340000000.00 216000000.00 216000000.00 209000000.00 181000000.00 177000000.00 175000000.00 196000000.00 211000000.00 262000000.00 241000000.00 254000000.00 355000000.00 257000000.00 249000000.00 235000000.00 279000000.00 321000000.00 325000000.00 318000000.00 331000000.00 312000000.00 304000000.00 292000000.00 324000000.00 Maltose 208000.00 130000.00 206000.00 199000.00 190000.00 150000.00 158000.00 171000.00 192000.00 192000.00 201000.00 152000.00 157000.00 164000.00 177000.00 197000.00 210000.00 125000.00 154000.00 180000.00 159000.00 160000.00 187000.00 139000.00 106000.00 130000.00 159000.00 155000.00 113000.00 103000.00 113000.00 146000.00 201000.00 144000.00 134000.00 171000.00 162000.00 161000.00 158000.00 143000.00 184000.00 124000.00 153000.00 169000.00 135000.00 139000.00 179000.00 128000.00 146000.00 123000.00 134000.00 127000.00 134000.00 101000.00 118000.00 130000.00 165000.00 154000.00 156000.00 193000.00 176000.00 176000.00 161000.00 181000.00 161000.00 138000.00 111000.00 145000.00 126000.00 117000.00 97100.00 148000.00 147000.00 113000.00 145000.00 117000.00 147000.00 115000.00 149000.00 151000.00 Mannitol 1070000.00 325000.00 492000.00 508000.00 762000.00 937000.00 753000.00 358000.00 1070000.00 435000.00 558000.00 528000.00 736000.00 940000.00 815000.00 525000.00 1500000.00 569000.00 619000.00 700000.00 959000.00 1240000.00 719000.00 565000.00 1900000.00 1130000.00 1330000.00 1460000.00 1410000.00 1610000.00 1490000.00 1400000.00 1050000.00 274000.00 319000.00 499000.00 731000.00 875000.00 607000.00 398000.00 1020000.00 366000.00 440000.00 486000.00 653000.00 690000.00 668000.00 318000.00 1010000.00 366000.00 351000.00 415000.00 568000.00 865000.00 679000.00 512000.00 946000.00 318000.00 471000.00 555000.00 709000.00 830000.00 527000.00 487000.00 1050000.00 376000.00 325000.00 351000.00 705000.00 871000.00 524000.00 351000.00 1000000.00 307000.00 352000.00 429000.00 721000.00 771000.00 593000.00 489000.00 D-Ribose 1880000.00 1740000.00 2340000.00 1790000.00 2010000.00 1910000.00 2020000.00 1790000.00 1870000.00 2160000.00 1900000.00 1870000.00 1890000.00 1850000.00 2200000.00 2110000.00 1670000.00 1660000.00 1410000.00 1500000.00 1740000.00 1720000.00 1470000.00 1390000.00 1440000.00 961000.00 1070000.00 972000.00 955000.00 1020000.00 1210000.00 1010000.00 2230000.00 1890000.00 1640000.00 1870000.00 1860000.00 2080000.00 1910000.00 1780000.00 1780000.00 1940000.00 1810000.00 2030000.00 1670000.00 1810000.00 1860000.00 1600000.00 1730000.00 1480000.00 1500000.00 1670000.00 1730000.00 1560000.00 1670000.00 1570000.00 1680000.00 1930000.00 2080000.00 2080000.00 1810000.00 1840000.00 1830000.00 1910000.00 1770000.00 1750000.00 1660000.00 1670000.00 1540000.00 1770000.00 1610000.00 1760000.00 1590000.00 1600000.00 1660000.00 1430000.00 1560000.00 1660000.00 1710000.00 1720000.00 D-Rhamnose 868000.00 860000.00 899000.00 812000.00 957000.00 956000.00 782000.00 808000.00 770000.00 829000.00 842000.00 860000.00 917000.00 835000.00 1020000.00 513000.00 898000.00 773000.00 716000.00 577000.00 928000.00 946000.00 722000.00 773000.00 813000.00 880000.00 856000.00 933000.00 805000.00 926000.00 711000.00 758000.00 915000.00 763000.00 796000.00 796000.00 813000.00 856000.00 724000.00 805000.00 848000.00 858000.00 905000.00 808000.00 818000.00 971000.00 892000.00 833000.00 788000.00 740000.00 828000.00 902000.00 571000.00 821000.00 865000.00 827000.00 840000.00 895000.00 877000.00 934000.00 984000.00 928000.00 856000.00 982000.00 905000.00 882000.00 881000.00 773000.00 760000.00 877000.00 801000.00 856000.00 790000.00 727000.00 803000.00 706000.00 775000.00 809000.00 741000.00 881000.00 D-Arabitol 89200.00 119000.00 118000.00 116000.00 125000.00 135000.00 105000.00 113000.00 128000.00 162000.00 112000.00 117000.00 124000.00 129000.00 147000.00 93100.00 113000.00 148000.00 147000.00 117000.00 140000.00 147000.00 129000.00 139000.00 208000.00 207000.00 223000.00 187000.00 129000.00 195000.00 160000.00 209000.00 150000.00 112000.00 114000.00 122000.00 114000.00 128000.00 128000.00 131000.00 138000.00 133000.00 118000.00 138000.00 99300.00 142000.00 132000.00 124000.00 130000.00 152000.00 163000.00 133000.00 102000.00 141000.00 132000.00 133000.00 118000.00 122000.00 129000.00 125000.00 107000.00 116000.00 110000.00 130000.00 109000.00 135000.00 115000.00 151000.00 104000.00 111000.00 106000.00 118000.00 112000.00 144000.00 133000.00 140000.00 109000.00 146000.00 139000.00 145000.00 Citrate 1330000000.00 1400000000.00 1450000000.00 1500000000.00 1480000000.00 1570000000.00 1560000000.00 1330000000.00 1370000000.00 1390000000.00 1470000000.00 1410000000.00 1430000000.00 1360000000.00 1570000000.00 1460000000.00 1430000000.00 1370000000.00 1440000000.00 1540000000.00 1500000000.00 1520000000.00 1290000000.00 1360000000.00 1400000000.00 1420000000.00 1430000000.00 1540000000.00 1470000000.00 1390000000.00 1440000000.00 1420000000.00 1620000000.00 1470000000.00 1440000000.00 1380000000.00 1430000000.00 1420000000.00 1600000000.00 1370000000.00 1430000000.00 1640000000.00 1620000000.00 1480000000.00 1500000000.00 1450000000.00 1550000000.00 1430000000.00 1320000000.00 1480000000.00 1490000000.00 1480000000.00 1510000000.00 1410000000.00 1360000000.00 1390000000.00 1430000000.00 1420000000.00 1440000000.00 1410000000.00 1310000000.00 1490000000.00 1540000000.00 1580000000.00 1590000000.00 1390000000.00 1510000000.00 1430000000.00 1540000000.00 1580000000.00 1560000000.00 1470000000.00 1450000000.00 1320000000.00 1480000000.00 1430000000.00 1540000000.00 1380000000.00 1400000000.00 1420000000.00 2-Oxoglutarate 701000.00 705000.00 869000.00 862000.00 652000.00 869000.00 602000.00 711000.00 1110000.00 1310000.00 1050000.00 1310000.00 1080000.00 1020000.00 1410000.00 1240000.00 2520000.00 2160000.00 1870000.00 2040000.00 2580000.00 2720000.00 2900000.00 2030000.00 2080000.00 1880000.00 1620000.00 1840000.00 1940000.00 1960000.00 2680000.00 2010000.00 738000.00 684000.00 819000.00 813000.00 649000.00 662000.00 861000.00 778000.00 899000.00 1130000.00 1360000.00 1050000.00 817000.00 760000.00 1090000.00 970000.00 1200000.00 871000.00 1210000.00 1400000.00 1000000.00 962000.00 1270000.00 1230000.00 779000.00 755000.00 843000.00 865000.00 577000.00 733000.00 701000.00 869000.00 991000.00 873000.00 950000.00 1260000.00 884000.00 908000.00 870000.00 926000.00 1120000.00 980000.00 1190000.00 1050000.00 1050000.00 1040000.00 1010000.00 1000000.00 Succinate 2280000.00 2050000.00 2220000.00 1940000.00 2250000.00 2520000.00 2200000.00 2400000.00 2190000.00 2270000.00 2380000.00 2560000.00 2360000.00 2420000.00 3320000.00 2710000.00 2880000.00 2500000.00 2340000.00 2730000.00 2920000.00 3270000.00 3050000.00 2860000.00 2940000.00 2650000.00 2770000.00 2880000.00 2600000.00 2580000.00 3580000.00 3220000.00 2340000.00 1870000.00 2140000.00 2070000.00 2270000.00 2030000.00 2520000.00 2140000.00 2110000.00 2450000.00 2500000.00 2190000.00 2310000.00 2040000.00 2420000.00 2280000.00 1960000.00 1800000.00 1970000.00 2360000.00 1970000.00 1990000.00 2200000.00 2510000.00 2370000.00 2180000.00 1930000.00 1980000.00 1910000.00 2300000.00 2480000.00 2780000.00 2040000.00 2230000.00 2300000.00 2050000.00 2260000.00 2580000.00 2300000.00 2720000.00 2040000.00 1580000.00 2280000.00 2040000.00 2640000.00 1960000.00 2130000.00 2230000.00 Fumarate 333000.00 254000.00 332000.00 280000.00 265000.00 300000.00 433000.00 370000.00 376000.00 188000.00 320000.00 329000.00 305000.00 440000.00 322000.00 309000.00 351000.00 334000.00 261000.00 245000.00 242000.00 342000.00 294000.00 368000.00 334000.00 373000.00 303000.00 338000.00 350000.00 357000.00 448000.00 341000.00 232000.00 289000.00 259000.00 324000.00 288000.00 367000.00 304000.00 305000.00 332000.00 189000.00 274000.00 172000.00 239000.00 347000.00 306000.00 306000.00 303000.00 337000.00 374000.00 292000.00 254000.00 256000.00 251000.00 380000.00 175000.00 257000.00 202000.00 284000.00 429000.00 498000.00 369000.00 309000.00 228000.00 236000.00 251000.00 260000.00 284000.00 242000.00 297000.00 310000.00 302000.00 191000.00 287000.00 244000.00 331000.00 243000.00 344000.00 223000.00 Malate 2140000.00 1910000.00 2240000.00 2210000.00 2190000.00 3000000.00 2620000.00 2490000.00 2160000.00 2110000.00 2430000.00 2200000.00 2510000.00 2420000.00 2950000.00 2390000.00 2950000.00 2110000.00 2520000.00 2300000.00 2750000.00 3120000.00 3050000.00 2920000.00 3390000.00 3340000.00 3470000.00 4180000.00 3850000.00 3980000.00 4880000.00 4570000.00 2300000.00 1990000.00 2280000.00 1860000.00 2660000.00 2560000.00 2710000.00 2910000.00 2250000.00 2460000.00 2710000.00 2310000.00 2660000.00 2880000.00 2940000.00 2830000.00 2500000.00 2480000.00 2540000.00 2610000.00 3030000.00 2750000.00 3140000.00 3350000.00 2380000.00 2060000.00 2070000.00 2070000.00 2410000.00 2750000.00 2710000.00 2720000.00 2070000.00 1870000.00 2230000.00 2890000.00 2640000.00 2980000.00 2320000.00 3120000.00 2510000.00 2090000.00 2860000.00 2440000.00 3090000.00 2750000.00 2820000.00 3120000.00 Oxaloacetate 808000.00 764000.00 813000.00 815000.00 859000.00 856000.00 874000.00 629000.00 797000.00 912000.00 798000.00 890000.00 732000.00 750000.00 1000000.00 776000.00 711000.00 789000.00 730000.00 816000.00 1000000.00 824000.00 923000.00 819000.00 833000.00 784000.00 863000.00 954000.00 790000.00 726000.00 803000.00 775000.00 783000.00 882000.00 888000.00 761000.00 1020000.00 822000.00 868000.00 1040000.00 802000.00 821000.00 848000.00 803000.00 970000.00 844000.00 961000.00 1010000.00 778000.00 753000.00 933000.00 885000.00 860000.00 760000.00 804000.00 737000.00 795000.00 612000.00 878000.00 894000.00 742000.00 820000.00 987000.00 826000.00 982000.00 847000.00 880000.00 844000.00 965000.00 865000.00 848000.00 798000.00 835000.00 760000.00 820000.00 718000.00 911000.00 900000.00 689000.00 854000.00 Itaconate 20600000.00 18300000.00 20700000.00 20500000.00 20700000.00 20500000.00 20600000.00 21100000.00 20900000.00 20900000.00 20200000.00 20300000.00 21400000.00 19100000.00 25000000.00 24200000.00 23600000.00 20900000.00 24000000.00 24100000.00 24600000.00 27100000.00 24700000.00 24900000.00 27100000.00 25700000.00 27000000.00 26700000.00 28100000.00 29000000.00 36300000.00 30600000.00 21100000.00 18400000.00 19100000.00 19000000.00 20400000.00 19700000.00 20900000.00 22100000.00 19400000.00 21300000.00 23600000.00 20400000.00 20300000.00 19200000.00 22600000.00 22000000.00 18300000.00 20900000.00 19500000.00 22100000.00 24300000.00 20400000.00 22500000.00 23100000.00 20300000.00 19700000.00 18800000.00 19900000.00 21000000.00 20700000.00 22000000.00 25500000.00 20000000.00 19200000.00 20200000.00 21500000.00 22700000.00 21500000.00 21200000.00 23600000.00 20700000.00 19700000.00 20200000.00 19600000.00 22300000.00 20500000.00 22000000.00 21700000.00 2-Hydroxyglutarate/Citramalate 6660000.00 6300000.00 7540000.00 7500000.00 6890000.00 8240000.00 7270000.00 6390000.00 6690000.00 6630000.00 7130000.00 7110000.00 6110000.00 6880000.00 8000000.00 7770000.00 6180000.00 6790000.00 6550000.00 7420000.00 6990000.00 7860000.00 6150000.00 6570000.00 7270000.00 7250000.00 7270000.00 7880000.00 7550000.00 7910000.00 7180000.00 7260000.00 8240000.00 7360000.00 7490000.00 6070000.00 7180000.00 6910000.00 8320000.00 7920000.00 6860000.00 8540000.00 7920000.00 7880000.00 7170000.00 6960000.00 7390000.00 6050000.00 6680000.00 7080000.00 7420000.00 7170000.00 7450000.00 7240000.00 6560000.00 7760000.00 7580000.00 6850000.00 7440000.00 7130000.00 7030000.00 6910000.00 6530000.00 8550000.00 8010000.00 6880000.00 7420000.00 6140000.00 7330000.00 7820000.00 7010000.00 7400000.00 7340000.00 6370000.00 6640000.00 6800000.00 7350000.00 7040000.00 6860000.00 6820000.00 Sedoheptulose 7-phosphate 171000.00 198000.00 153000.00 156000.00 153000.00 174000.00 200000.00 162000.00 190000.00 164000.00 144000.00 176000.00 162000.00 119000.00 119000.00 214000.00 184000.00 198000.00 391000.00 312000.00 158000.00 185000.00 284000.00 211000.00 324000.00 268000.00 234000.00 262000.00 357000.00 216000.00 311000.00 301000.00 162000.00 189000.00 204000.00 116000.00 122000.00 131000.00 202000.00 158000.00 160000.00 183000.00 165000.00 154000.00 222000.00 140000.00 130000.00 149000.00 181000.00 223000.00 215000.00 171000.00 237000.00 249000.00 243000.00 161000.00 131000.00 130000.00 210000.00 118000.00 165000.00 90900.00 160000.00 97800.00 221000.00 160000.00 156000.00 238000.00 274000.00 185000.00 147000.00 228000.00 220000.00 197000.00 320000.00 303000.00 299000.00 363000.00 159000.00 305000.00 alpha-D-Ribose 1-phosphate 387000.00 375000.00 439000.00 316000.00 388000.00 309000.00 556000.00 331000.00 521000.00 532000.00 569000.00 541000.00 509000.00 436000.00 641000.00 542000.00 403000.00 358000.00 338000.00 336000.00 366000.00 365000.00 488000.00 555000.00 165000.00 180000.00 179000.00 149000.00 99400.00 210000.00 232000.00 185000.00 250000.00 462000.00 377000.00 422000.00 434000.00 417000.00 418000.00 504000.00 611000.00 580000.00 430000.00 760000.00 545000.00 747000.00 887000.00 589000.00 623000.00 609000.00 495000.00 634000.00 379000.00 542000.00 556000.00 610000.00 300000.00 406000.00 321000.00 380000.00 417000.00 365000.00 521000.00 452000.00 464000.00 420000.00 522000.00 524000.00 541000.00 614000.00 782000.00 707000.00 572000.00 580000.00 561000.00 603000.00 478000.00 550000.00 675000.00 672000.00 Ascorbate 6840000.00 10300000.00 6850000.00 8660000.00 14800000.00 18900000.00 12700000.00 17300000.00 5810000.00 8080000.00 6360000.00 4260000.00 11400000.00 15100000.00 13900000.00 17100000.00 2840000.00 2860000.00 5900000.00 6440000.00 8010000.00 9340000.00 6990000.00 7410000.00 2420000.00 988000.00 1780000.00 1050000.00 3400000.00 4180000.00 4590000.00 4080000.00 8710000.00 6630000.00 8730000.00 6720000.00 12400000.00 14200000.00 17300000.00 13200000.00 4370000.00 6050000.00 7510000.00 7910000.00 12300000.00 10500000.00 12800000.00 8290000.00 3240000.00 3400000.00 3130000.00 3180000.00 9150000.00 10900000.00 6690000.00 5420000.00 8700000.00 7370000.00 7770000.00 2420000.00 10800000.00 13600000.00 12700000.00 14100000.00 4810000.00 3670000.00 4660000.00 1450000.00 12400000.00 14700000.00 10400000.00 12300000.00 2460000.00 1960000.00 3160000.00 3360000.00 6510000.00 9680000.00 4850000.00 5480000.00 Dehydroascorbate 31700000.00 29300000.00 30200000.00 31800000.00 34100000.00 33200000.00 33300000.00 32500000.00 32000000.00 32200000.00 32200000.00 31700000.00 35100000.00 29900000.00 40800000.00 40100000.00 38900000.00 32100000.00 38500000.00 41000000.00 42500000.00 43600000.00 44300000.00 40800000.00 47200000.00 45100000.00 45400000.00 45800000.00 49500000.00 48500000.00 63100000.00 52700000.00 32400000.00 28400000.00 30200000.00 29900000.00 33800000.00 31900000.00 35800000.00 36000000.00 30600000.00 33900000.00 36300000.00 32800000.00 34200000.00 30700000.00 36400000.00 35500000.00 31100000.00 32100000.00 31400000.00 35000000.00 40800000.00 34600000.00 35800000.00 37000000.00 31100000.00 27400000.00 28600000.00 30000000.00 33400000.00 30900000.00 35500000.00 38500000.00 30600000.00 29500000.00 31200000.00 35200000.00 36600000.00 34500000.00 33700000.00 39100000.00 31100000.00 30800000.00 31700000.00 31400000.00 37400000.00 30700000.00 35900000.00 35500000.00 N-Acetylneuraminate 227000.00 201000.00 185000.00 192000.00 258000.00 174000.00 198000.00 215000.00 235000.00 182000.00 175000.00 150000.00 240000.00 166000.00 144000.00 96300.00 139000.00 145000.00 102000.00 106000.00 147000.00 96400.00 91500.00 165000.00 112000.00 156000.00 70500.00 120000.00 146000.00 110000.00 100000.00 150000.00 241000.00 183000.00 208000.00 157000.00 262000.00 239000.00 140000.00 220000.00 289000.00 239000.00 197000.00 159000.00 277000.00 223000.00 181000.00 291000.00 357000.00 307000.00 263000.00 223000.00 287000.00 217000.00 262000.00 224000.00 207000.00 242000.00 191000.00 205000.00 289000.00 201000.00 172000.00 189000.00 305000.00 260000.00 269000.00 212000.00 301000.00 146000.00 209000.00 201000.00 310000.00 217000.00 273000.00 192000.00 244000.00 244000.00 248000.00 238000.00 1-4-beta-D-Xylan 2600000.00 2720000.00 3530000.00 2860000.00 3120000.00 3140000.00 3360000.00 2730000.00 2730000.00 3410000.00 3070000.00 2910000.00 2870000.00 2980000.00 3370000.00 2810000.00 2630000.00 2530000.00 2280000.00 2490000.00 2860000.00 2490000.00 2020000.00 2090000.00 1450000.00 1530000.00 1620000.00 1530000.00 1600000.00 1430000.00 1600000.00 1630000.00 3280000.00 3000000.00 2790000.00 2900000.00 2880000.00 3160000.00 3250000.00 2750000.00 2590000.00 3030000.00 2880000.00 3200000.00 2500000.00 3130000.00 2990000.00 2370000.00 2490000.00 2500000.00 2190000.00 2320000.00 2590000.00 2600000.00 2760000.00 2530000.00 2870000.00 3100000.00 2960000.00 3360000.00 2680000.00 3060000.00 2840000.00 3120000.00 2870000.00 3070000.00 2800000.00 2810000.00 2280000.00 2800000.00 2490000.00 2980000.00 2520000.00 2470000.00 2580000.00 2270000.00 2370000.00 2720000.00 2590000.00 2510000.00 UDP-N-acetyl-D-glucosamine 86500.00 63200.00 81700.00 69400.00 53800.00 52300.00 59700.00 54600.00 95900.00 47400.00 99000.00 81100.00 54700.00 56900.00 38000.00 26900.00 106000.00 112000.00 67600.00 52400.00 101000.00 112000.00 95700.00 79100.00 161000.00 186000.00 179000.00 168000.00 162000.00 187000.00 86600.00 174000.00 84500.00 59900.00 76800.00 67900.00 60600.00 65600.00 36700.00 63400.00 89600.00 88100.00 95600.00 74700.00 61800.00 93600.00 70400.00 97800.00 131000.00 81100.00 103000.00 89600.00 56600.00 71200.00 94700.00 108000.00 78500.00 59300.00 96000.00 82100.00 86000.00 57000.00 54300.00 54600.00 80900.00 75800.00 88300.00 95200.00 80200.00 34300.00 64400.00 64400.00 122000.00 90100.00 116000.00 109000.00 74900.00 64100.00 95500.00 111000.00 N-Succinyl-L-glutamate 5-semialdehyde 172000.00 156000.00 204000.00 132000.00 149000.00 145000.00 105000.00 107000.00 159000.00 167000.00 211000.00 164000.00 133000.00 160000.00 144000.00 146000.00 222000.00 203000.00 250000.00 268000.00 275000.00 297000.00 207000.00 308000.00 515000.00 466000.00 527000.00 642000.00 497000.00 445000.00 429000.00 558000.00 138000.00 137000.00 151000.00 121000.00 127000.00 93600.00 129000.00 141000.00 210000.00 170000.00 204000.00 134000.00 200000.00 135000.00 142000.00 209000.00 243000.00 267000.00 316000.00 259000.00 330000.00 238000.00 226000.00 283000.00 159000.00 106000.00 134000.00 142000.00 139000.00 116000.00 129000.00 213000.00 208000.00 151000.00 210000.00 331000.00 144000.00 171000.00 80900.00 243000.00 255000.00 240000.00 262000.00 186000.00 288000.00 254000.00 184000.00 320000.00 Taurine 17600000.00 12500000.00 17100000.00 13800000.00 13900000.00 13800000.00 17200000.00 16500000.00 16300000.00 14200000.00 16800000.00 14500000.00 13500000.00 14600000.00 15800000.00 13700000.00 14800000.00 11800000.00 11400000.00 11400000.00 13600000.00 12900000.00 14500000.00 17300000.00 11000000.00 10700000.00 11100000.00 11900000.00 9820000.00 10500000.00 11800000.00 15200000.00 15000000.00 13700000.00 14600000.00 14900000.00 13300000.00 15000000.00 15300000.00 16700000.00 15300000.00 12900000.00 13000000.00 12800000.00 10700000.00 13500000.00 13800000.00 16300000.00 14100000.00 12700000.00 13800000.00 13400000.00 11100000.00 11800000.00 15700000.00 15800000.00 14400000.00 13900000.00 14400000.00 15500000.00 13900000.00 14700000.00 15400000.00 16600000.00 14800000.00 11500000.00 13900000.00 12000000.00 11400000.00 11200000.00 13900000.00 16100000.00 13600000.00 10700000.00 14400000.00 11900000.00 11800000.00 12500000.00 15400000.00 15200000.00 Indole 202000.00 198000.00 206000.00 206000.00 240000.00 218000.00 179000.00 260000.00 226000.00 171000.00 206000.00 222000.00 259000.00 296000.00 243000.00 247000.00 260000.00 217000.00 195000.00 229000.00 281000.00 329000.00 215000.00 270000.00 282000.00 213000.00 259000.00 293000.00 295000.00 373000.00 213000.00 325000.00 187000.00 179000.00 247000.00 224000.00 242000.00 246000.00 209000.00 255000.00 202000.00 191000.00 207000.00 220000.00 264000.00 275000.00 208000.00 271000.00 226000.00 191000.00 209000.00 242000.00 250000.00 211000.00 195000.00 264000.00 218000.00 197000.00 222000.00 231000.00 272000.00 265000.00 235000.00 261000.00 252000.00 205000.00 243000.00 221000.00 297000.00 237000.00 236000.00 246000.00 250000.00 190000.00 219000.00 221000.00 214000.00 249000.00 203000.00 286000.00 Sphinganine 1-phosphate 11400.00 19900.00 15600.00 17600.00 16800.00 9820.00 14500.00 15900.00 18900.00 12200.00 20200.00 18300.00 18200.00 13200.00 12300.00 1590.00 16200.00 15500.00 3520.00 10100.00 29900.00 26300.00 21500.00 14600.00 15800.00 18000.00 15300.00 14300.00 19700.00 16200.00 10900.00 15100.00 18900.00 20600.00 24200.00 20700.00 17500.00 12700.00 4300.00 15900.00 19800.00 15500.00 9360.00 8520.00 20000.00 14600.00 17000.00 18500.00 22300.00 14000.00 16400.00 23900.00 6980.00 12700.00 14100.00 13800.00 14900.00 21700.00 21300.00 15100.00 16900.00 14100.00 20000.00 20900.00 16000.00 22400.00 18000.00 14700.00 16000.00 3340.00 21600.00 11200.00 18800.00 14200.00 17900.00 17900.00 11200.00 11900.00 20400.00 17700.00 Butanoic acid 691000.00 864000.00 842000.00 691000.00 1090000.00 849000.00 776000.00 1070000.00 1050000.00 1060000.00 988000.00 1150000.00 1180000.00 992000.00 1250000.00 850000.00 814000.00 712000.00 632000.00 594000.00 865000.00 784000.00 712000.00 629000.00 622000.00 567000.00 536000.00 584000.00 539000.00 604000.00 443000.00 579000.00 1120000.00 1030000.00 1320000.00 1350000.00 1400000.00 1030000.00 1360000.00 1210000.00 1330000.00 1610000.00 1460000.00 2160000.00 1920000.00 1450000.00 1800000.00 1300000.00 1210000.00 1090000.00 926000.00 1830000.00 1230000.00 1150000.00 1360000.00 1200000.00 988000.00 938000.00 1170000.00 1140000.00 1160000.00 1060000.00 984000.00 1470000.00 1240000.00 1170000.00 1200000.00 1270000.00 1680000.00 1350000.00 1260000.00 1380000.00 1260000.00 1080000.00 1250000.00 1440000.00 1620000.00 1210000.00 1270000.00 1380000.00 Hexanoic acid (caproate) 793000.00 793000.00 826000.00 818000.00 1120000.00 1090000.00 902000.00 896000.00 1010000.00 1090000.00 1100000.00 1110000.00 1020000.00 1180000.00 1100000.00 852000.00 1390000.00 1470000.00 1160000.00 1050000.00 1540000.00 1670000.00 1150000.00 1610000.00 1160000.00 1260000.00 1330000.00 1660000.00 1580000.00 1500000.00 1220000.00 1720000.00 1100000.00 821000.00 964000.00 908000.00 1010000.00 820000.00 899000.00 1020000.00 1130000.00 1070000.00 1190000.00 961000.00 1160000.00 1130000.00 1250000.00 1370000.00 1280000.00 1160000.00 1340000.00 1450000.00 1040000.00 1150000.00 1490000.00 1550000.00 841000.00 848000.00 990000.00 880000.00 1020000.00 998000.00 975000.00 1010000.00 1010000.00 1080000.00 1100000.00 1250000.00 1170000.00 977000.00 975000.00 1160000.00 1300000.00 1110000.00 1230000.00 1130000.00 1220000.00 1150000.00 1260000.00 1310000.00 Heptanoic acid 1170000.00 1200000.00 1210000.00 1240000.00 1290000.00 1190000.00 1330000.00 1210000.00 1200000.00 1260000.00 1310000.00 1260000.00 1320000.00 1350000.00 1340000.00 755000.00 1390000.00 1320000.00 1060000.00 986000.00 1400000.00 1340000.00 1360000.00 1280000.00 1290000.00 1350000.00 1230000.00 1440000.00 1400000.00 1300000.00 1110000.00 1430000.00 1200000.00 1320000.00 1200000.00 1330000.00 1210000.00 1160000.00 1090000.00 1270000.00 1430000.00 1250000.00 1160000.00 1040000.00 1160000.00 1300000.00 1350000.00 1480000.00 1390000.00 1300000.00 1390000.00 1330000.00 965000.00 1150000.00 1410000.00 1340000.00 1300000.00 1180000.00 1080000.00 1280000.00 1260000.00 1230000.00 1200000.00 1260000.00 1260000.00 1220000.00 1220000.00 1280000.00 1270000.00 1140000.00 1290000.00 1260000.00 1270000.00 1420000.00 1320000.00 1330000.00 1260000.00 1140000.00 1370000.00 1440000.00 Octanoic acid (caprylate) 2230000.00 1830000.00 4230000.00 2270000.00 2450000.00 1610000.00 2840000.00 2020000.00 2760000.00 2680000.00 4840000.00 2810000.00 3920000.00 2980000.00 2640000.00 924000.00 5760000.00 4790000.00 2790000.00 1640000.00 5640000.00 5410000.00 5790000.00 5310000.00 4010000.00 6130000.00 5680000.00 7150000.00 6320000.00 5340000.00 2890000.00 7530000.00 2260000.00 2450000.00 3390000.00 2310000.00 3400000.00 2370000.00 1430000.00 2170000.00 2980000.00 2420000.00 3100000.00 1640000.00 2270000.00 2980000.00 2830000.00 3430000.00 3480000.00 3700000.00 5020000.00 3560000.00 1250000.00 1620000.00 3760000.00 4280000.00 1650000.00 2660000.00 3680000.00 2630000.00 3580000.00 2480000.00 2930000.00 1980000.00 2510000.00 3440000.00 4770000.00 2920000.00 2800000.00 1300000.00 2730000.00 1720000.00 3280000.00 3560000.00 4360000.00 2240000.00 2600000.00 1680000.00 3880000.00 3180000.00 Nonanoic acid (pelargonate) 4840000.00 5020000.00 6180000.00 5280000.00 5330000.00 3740000.00 5420000.00 5220000.00 5750000.00 4270000.00 7540000.00 6700000.00 5020000.00 6130000.00 5360000.00 2570000.00 7290000.00 6900000.00 4320000.00 3190000.00 6040000.00 5900000.00 6350000.00 5530000.00 6590000.00 7090000.00 6200000.00 7290000.00 6960000.00 7890000.00 3670000.00 7810000.00 5690000.00 4590000.00 4590000.00 5630000.00 5530000.00 4980000.00 3920000.00 5350000.00 7260000.00 4860000.00 4980000.00 4190000.00 4760000.00 5840000.00 4420000.00 6360000.00 5310000.00 6830000.00 6290000.00 6340000.00 2900000.00 3820000.00 5540000.00 6300000.00 4050000.00 5470000.00 4580000.00 5710000.00 6250000.00 6580000.00 5520000.00 4860000.00 4780000.00 7120000.00 6040000.00 5710000.00 5780000.00 4160000.00 4830000.00 5300000.00 7320000.00 5600000.00 6150000.00 5100000.00 4930000.00 4220000.00 7420000.00 5690000.00 Decanoic acid (caprate) 4040000.00 4880000.00 6450000.00 4170000.00 5880000.00 3370000.00 6270000.00 4090000.00 5250000.00 4470000.00 6730000.00 5690000.00 6730000.00 4050000.00 7010000.00 2300000.00 8080000.00 7020000.00 6100000.00 3820000.00 8620000.00 7200000.00 9680000.00 7190000.00 9120000.00 9080000.00 10900000.00 10200000.00 11200000.00 9650000.00 7190000.00 9880000.00 4470000.00 4630000.00 5860000.00 4620000.00 6150000.00 4120000.00 5580000.00 4620000.00 5880000.00 4850000.00 6230000.00 4350000.00 6680000.00 4260000.00 6650000.00 5520000.00 5650000.00 5710000.00 7090000.00 5730000.00 4020000.00 4020000.00 7110000.00 6470000.00 4590000.00 4750000.00 6150000.00 4780000.00 6710000.00 4400000.00 6120000.00 3930000.00 4190000.00 5540000.00 7040000.00 5190000.00 6510000.00 3700000.00 5310000.00 3590000.00 5350000.00 5450000.00 6980000.00 5230000.00 6530000.00 4360000.00 7680000.00 4600000.00 Dodecanoic acid 6580000.00 8680000.00 12000000.00 7820000.00 10600000.00 6780000.00 20600000.00 7460000.00 8510000.00 10100000.00 15800000.00 10900000.00 13200000.00 8820000.00 22600000.00 4270000.00 14400000.00 15100000.00 11800000.00 8680000.00 15100000.00 14700000.00 29100000.00 11500000.00 15600000.00 17500000.00 19400000.00 18800000.00 18800000.00 15700000.00 22800000.00 13900000.00 8050000.00 9360000.00 11200000.00 8760000.00 10500000.00 7450000.00 17400000.00 7440000.00 7870000.00 9550000.00 13500000.00 9320000.00 11400000.00 8620000.00 23200000.00 8330000.00 9700000.00 11100000.00 16100000.00 9020000.00 8530000.00 7520000.00 20300000.00 9300000.00 6630000.00 8820000.00 11700000.00 8290000.00 12600000.00 7410000.00 19700000.00 8510000.00 7470000.00 10900000.00 13400000.00 10700000.00 12900000.00 7120000.00 21000000.00 7810000.00 9300000.00 10400000.00 13500000.00 10200000.00 12700000.00 8310000.00 20600000.00 8450000.00 Tetradecanoic acid 14900000.00 10800000.00 12400000.00 15000000.00 20100000.00 10900000.00 21200000.00 11700000.00 19600000.00 16000000.00 14000000.00 21200000.00 22300000.00 13700000.00 25000000.00 7610000.00 25000000.00 22500000.00 13200000.00 16900000.00 22100000.00 16500000.00 33300000.00 14500000.00 22600000.00 22600000.00 18300000.00 27900000.00 17000000.00 16800000.00 20600000.00 12200000.00 17500000.00 12800000.00 10700000.00 17500000.00 19400000.00 10400000.00 19800000.00 10100000.00 19200000.00 14600000.00 12300000.00 14800000.00 16000000.00 13000000.00 27100000.00 13100000.00 17200000.00 15100000.00 13000000.00 20500000.00 12800000.00 12400000.00 24000000.00 14300000.00 16700000.00 11800000.00 11700000.00 16100000.00 22200000.00 12400000.00 24300000.00 10800000.00 16600000.00 14700000.00 12400000.00 14300000.00 19600000.00 10300000.00 22100000.00 13600000.00 18800000.00 15100000.00 12800000.00 16100000.00 16700000.00 11400000.00 29200000.00 11500000.00 Hexadecanoic acid 120000000.00 103000000.00 87700000.00 108000000.00 127000000.00 88500000.00 132000000.00 93500000.00 164000000.00 142000000.00 140000000.00 153000000.00 148000000.00 141000000.00 146000000.00 92500000.00 146000000.00 126000000.00 109000000.00 125000000.00 151000000.00 138000000.00 176000000.00 124000000.00 143000000.00 143000000.00 129000000.00 189000000.00 137000000.00 129000000.00 144000000.00 133000000.00 126000000.00 119000000.00 118000000.00 134000000.00 147000000.00 112000000.00 132000000.00 111000000.00 158000000.00 140000000.00 143000000.00 137000000.00 152000000.00 135000000.00 148000000.00 157000000.00 149000000.00 151000000.00 130000000.00 177000000.00 121000000.00 129000000.00 160000000.00 145000000.00 117000000.00 117000000.00 116000000.00 118000000.00 136000000.00 113000000.00 147000000.00 128000000.00 160000000.00 137000000.00 150000000.00 133000000.00 159000000.00 119000000.00 152000000.00 129000000.00 163000000.00 125000000.00 138000000.00 153000000.00 132000000.00 137000000.00 130000000.00 145000000.00 Octadecanoic acid 48600000.00 35100000.00 41300000.00 48400000.00 47600000.00 32600000.00 58500000.00 39400000.00 80800000.00 55400000.00 63000000.00 68800000.00 66400000.00 53600000.00 61100000.00 43000000.00 67600000.00 66300000.00 48800000.00 59000000.00 61800000.00 51900000.00 61600000.00 50000000.00 51500000.00 56800000.00 47300000.00 69300000.00 58200000.00 38300000.00 58700000.00 49100000.00 49100000.00 48600000.00 52800000.00 57900000.00 58800000.00 44000000.00 45100000.00 46400000.00 71600000.00 59400000.00 56400000.00 60600000.00 63200000.00 62200000.00 69200000.00 67600000.00 65600000.00 70700000.00 66400000.00 68400000.00 56000000.00 56000000.00 71100000.00 72500000.00 48700000.00 56900000.00 46800000.00 50700000.00 55900000.00 49200000.00 49500000.00 47700000.00 62900000.00 60200000.00 65000000.00 59300000.00 58200000.00 55800000.00 61300000.00 53300000.00 63600000.00 62100000.00 60200000.00 58600000.00 59200000.00 64400000.00 71300000.00 62600000.00 Tetradecenoic acid 3200000.00 1790000.00 1850000.00 2440000.00 3770000.00 1880000.00 4370000.00 1650000.00 3390000.00 2230000.00 1860000.00 2990000.00 4210000.00 1640000.00 4890000.00 1140000.00 5200000.00 3180000.00 2060000.00 3190000.00 4520000.00 2980000.00 6970000.00 2430000.00 4150000.00 3610000.00 3060000.00 4960000.00 4630000.00 2870000.00 5470000.00 2700000.00 3330000.00 1960000.00 1780000.00 2660000.00 3730000.00 1640000.00 3500000.00 2060000.00 3390000.00 1830000.00 1980000.00 2430000.00 3660000.00 1850000.00 4790000.00 1920000.00 3510000.00 2500000.00 1980000.00 3130000.00 2960000.00 1700000.00 4330000.00 2210000.00 3040000.00 1950000.00 1590000.00 3300000.00 4440000.00 1710000.00 4910000.00 2230000.00 3080000.00 2280000.00 1800000.00 1980000.00 3930000.00 1570000.00 4080000.00 1770000.00 3450000.00 2020000.00 1920000.00 2650000.00 3850000.00 1820000.00 4500000.00 1930000.00 Hexadecenoic acid 22000000.00 10400000.00 10000000.00 17700000.00 24500000.00 10700000.00 30000000.00 13700000.00 25900000.00 13300000.00 12000000.00 27600000.00 22900000.00 13900000.00 33900000.00 11200000.00 34400000.00 20700000.00 14600000.00 20000000.00 28500000.00 17600000.00 36600000.00 19700000.00 30600000.00 23900000.00 19200000.00 32500000.00 26700000.00 17000000.00 30100000.00 17100000.00 23900000.00 11500000.00 8810000.00 19400000.00 25300000.00 9430000.00 27300000.00 12900000.00 25800000.00 11400000.00 11200000.00 16700000.00 23900000.00 10300000.00 34400000.00 13300000.00 23800000.00 12700000.00 11500000.00 24000000.00 16900000.00 10000000.00 28600000.00 14900000.00 22000000.00 12100000.00 11300000.00 22300000.00 24100000.00 9790000.00 28100000.00 15700000.00 21600000.00 13200000.00 9990000.00 12900000.00 23100000.00 10100000.00 26300000.00 13000000.00 24300000.00 12500000.00 10700000.00 20100000.00 25900000.00 9670000.00 28700000.00 14100000.00 Octadecenoic acid 100000000.00 62900000.00 78200000.00 123000000.00 100000000.00 69400000.00 143000000.00 76000000.00 108000000.00 77700000.00 87800000.00 133000000.00 117000000.00 79700000.00 133000000.00 67500000.00 136000000.00 97200000.00 88300000.00 147000000.00 121000000.00 104000000.00 163000000.00 97900000.00 117000000.00 96100000.00 126000000.00 159000000.00 124000000.00 117000000.00 186000000.00 109000000.00 110000000.00 70100000.00 72700000.00 119000000.00 125000000.00 66100000.00 139000000.00 71600000.00 109000000.00 75200000.00 85300000.00 110000000.00 100000000.00 75500000.00 145000000.00 73300000.00 105000000.00 69000000.00 82200000.00 111000000.00 98800000.00 79100000.00 141000000.00 83800000.00 111000000.00 75500000.00 75900000.00 104000000.00 127000000.00 71800000.00 154000000.00 71000000.00 98900000.00 77800000.00 75100000.00 76500000.00 99500000.00 75000000.00 140000000.00 66500000.00 109000000.00 73200000.00 83000000.00 110000000.00 108000000.00 79200000.00 146000000.00 77500000.00 Linoleate 57200000.00 42600000.00 45800000.00 71800000.00 66000000.00 46500000.00 98400000.00 48200000.00 62700000.00 51800000.00 51200000.00 93700000.00 71300000.00 51100000.00 104000000.00 47500000.00 106000000.00 77700000.00 78700000.00 111000000.00 95300000.00 96700000.00 115000000.00 72100000.00 117000000.00 105000000.00 100000000.00 149000000.00 111000000.00 80800000.00 130000000.00 75300000.00 58600000.00 42300000.00 44800000.00 71200000.00 63700000.00 45600000.00 94900000.00 47800000.00 62400000.00 49200000.00 59200000.00 76200000.00 71800000.00 50800000.00 91700000.00 54500000.00 65700000.00 56800000.00 56900000.00 98700000.00 66400000.00 53500000.00 96300000.00 68200000.00 58500000.00 43700000.00 44000000.00 76500000.00 74400000.00 45700000.00 91200000.00 52500000.00 65800000.00 52900000.00 54300000.00 54700000.00 77300000.00 53600000.00 91900000.00 56600000.00 66700000.00 57300000.00 52700000.00 82900000.00 68500000.00 48800000.00 83600000.00 56000000.00 Octadecatrienoic acid 10600000.00 6490000.00 5410000.00 14400000.00 13500000.00 6020000.00 19200000.00 8350000.00 10700000.00 8290000.00 6930000.00 20000000.00 14100000.00 7740000.00 23800000.00 7460000.00 16900000.00 12000000.00 6990000.00 18100000.00 15200000.00 11600000.00 23800000.00 13200000.00 15400000.00 11600000.00 9510000.00 25800000.00 13300000.00 10600000.00 22500000.00 9440000.00 10800000.00 6270000.00 4960000.00 17200000.00 13900000.00 6650000.00 19100000.00 8450000.00 12700000.00 7690000.00 6250000.00 16200000.00 12600000.00 7840000.00 19200000.00 9370000.00 11400000.00 7510000.00 6420000.00 17000000.00 12500000.00 6570000.00 21300000.00 10400000.00 10300000.00 7280000.00 5870000.00 19100000.00 14100000.00 5840000.00 20800000.00 8870000.00 11200000.00 8430000.00 5590000.00 9090000.00 13300000.00 7050000.00 20100000.00 8510000.00 12000000.00 7740000.00 5750000.00 15700000.00 13900000.00 6570000.00 21400000.00 9210000.00 Eicosatetraenoic acid 3140000.00 2010000.00 2220000.00 2510000.00 2090000.00 2050000.00 3340000.00 1970000.00 2310000.00 1930000.00 2460000.00 2740000.00 2460000.00 2110000.00 2800000.00 2080000.00 4580000.00 4090000.00 4010000.00 5700000.00 4220000.00 3850000.00 5980000.00 4340000.00 13500000.00 11900000.00 8850000.00 15800000.00 10900000.00 8110000.00 17500000.00 9690000.00 3200000.00 2550000.00 2810000.00 3500000.00 3230000.00 2790000.00 4200000.00 2820000.00 4610000.00 4400000.00 4700000.00 4820000.00 4790000.00 4290000.00 6610000.00 4770000.00 6100000.00 4450000.00 4810000.00 7600000.00 6210000.00 5340000.00 6660000.00 6730000.00 2970000.00 2620000.00 3000000.00 4170000.00 3030000.00 2980000.00 4240000.00 3670000.00 4270000.00 3960000.00 5280000.00 5570000.00 4520000.00 3760000.00 5950000.00 5060000.00 6110000.00 4250000.00 5370000.00 5420000.00 5000000.00 5080000.00 6520000.00 6120000.00 Eicosapentaenoic acid 731000.00 475000.00 439000.00 1050000.00 447000.00 505000.00 1480000.00 603000.00 740000.00 492000.00 487000.00 803000.00 605000.00 550000.00 1270000.00 519000.00 1380000.00 756000.00 848000.00 1950000.00 991000.00 993000.00 2240000.00 1230000.00 2920000.00 1660000.00 1390000.00 3590000.00 1720000.00 1450000.00 4720000.00 1730000.00 939000.00 673000.00 629000.00 1250000.00 800000.00 692000.00 1500000.00 856000.00 1430000.00 1050000.00 1180000.00 1450000.00 1140000.00 1240000.00 2390000.00 1490000.00 1730000.00 1300000.00 1030000.00 2220000.00 1430000.00 1360000.00 2920000.00 1600000.00 863000.00 715000.00 669000.00 1270000.00 809000.00 771000.00 1750000.00 984000.00 1330000.00 1140000.00 1080000.00 1540000.00 1160000.00 982000.00 2070000.00 1380000.00 1900000.00 1480000.00 1080000.00 1810000.00 1330000.00 1130000.00 3060000.00 1430000.00 Docosahexaenoic acid 3130000.00 2630000.00 2000000.00 3820000.00 2570000.00 1860000.00 6740000.00 2410000.00 2500000.00 2120000.00 2090000.00 3160000.00 2320000.00 1630000.00 4710000.00 2180000.00 5250000.00 5040000.00 3080000.00 6040000.00 4440000.00 3660000.00 9390000.00 5010000.00 10700000.00 8490000.00 7110000.00 9750000.00 7710000.00 5420000.00 14300000.00 8200000.00 3180000.00 2890000.00 2100000.00 4430000.00 2900000.00 2280000.00 6780000.00 3100000.00 4910000.00 4050000.00 3940000.00 4680000.00 4030000.00 2980000.00 8660000.00 4540000.00 5660000.00 4490000.00 3980000.00 5730000.00 5070000.00 3710000.00 8920000.00 5510000.00 3010000.00 2980000.00 2590000.00 5350000.00 3040000.00 2160000.00 7690000.00 3140000.00 3920000.00 3710000.00 3200000.00 5470000.00 3790000.00 3110000.00 7370000.00 3900000.00 5020000.00 4030000.00 3910000.00 5410000.00 4690000.00 3300000.00 8060000.00 5430000.00 Dodecanedioic acid 232000.00 244000.00 343000.00 245000.00 282000.00 346000.00 380000.00 218000.00 264000.00 263000.00 350000.00 284000.00 295000.00 304000.00 385000.00 262000.00 356000.00 314000.00 416000.00 294000.00 347000.00 406000.00 386000.00 265000.00 357000.00 279000.00 415000.00 342000.00 349000.00 367000.00 479000.00 286000.00 290000.00 204000.00 357000.00 225000.00 309000.00 263000.00 408000.00 225000.00 287000.00 246000.00 437000.00 254000.00 311000.00 263000.00 423000.00 257000.00 316000.00 265000.00 381000.00 291000.00 317000.00 295000.00 414000.00 243000.00 288000.00 196000.00 360000.00 235000.00 283000.00 278000.00 356000.00 233000.00 284000.00 239000.00 391000.00 273000.00 335000.00 303000.00 347000.00 225000.00 312000.00 242000.00 371000.00 275000.00 263000.00 284000.00 385000.00 242000.00 (8Z-11Z-14Z)-Icosatrienoic acid 576000.00 369000.00 514000.00 582000.00 529000.00 374000.00 873000.00 394000.00 408000.00 298000.00 329000.00 432000.00 451000.00 338000.00 631000.00 352000.00 746000.00 614000.00 563000.00 629000.00 810000.00 576000.00 901000.00 644000.00 1680000.00 1170000.00 1060000.00 1810000.00 1310000.00 919000.00 1720000.00 1200000.00 740000.00 493000.00 593000.00 754000.00 692000.00 561000.00 883000.00 575000.00 873000.00 650000.00 731000.00 850000.00 989000.00 732000.00 1250000.00 851000.00 1150000.00 737000.00 783000.00 1190000.00 1090000.00 898000.00 1270000.00 1020000.00 675000.00 576000.00 570000.00 934000.00 619000.00 561000.00 1070000.00 646000.00 807000.00 770000.00 781000.00 921000.00 880000.00 749000.00 1050000.00 836000.00 917000.00 787000.00 757000.00 1110000.00 1010000.00 793000.00 1140000.00 950000.00 (5Z-8Z-11Z-14Z-17Z)-Icosapentaenoic acid 731000.00 475000.00 439000.00 1050000.00 447000.00 505000.00 1480000.00 603000.00 740000.00 492000.00 487000.00 803000.00 605000.00 550000.00 1270000.00 519000.00 1380000.00 756000.00 848000.00 1950000.00 991000.00 993000.00 2240000.00 1230000.00 2920000.00 1660000.00 1390000.00 3590000.00 1720000.00 1450000.00 4720000.00 1730000.00 939000.00 673000.00 629000.00 1250000.00 800000.00 692000.00 1500000.00 856000.00 1430000.00 1050000.00 1180000.00 1450000.00 1140000.00 1240000.00 2390000.00 1490000.00 1730000.00 1300000.00 1030000.00 2220000.00 1430000.00 1360000.00 2920000.00 1600000.00 863000.00 715000.00 669000.00 1270000.00 809000.00 771000.00 1750000.00 984000.00 1330000.00 1140000.00 1080000.00 1540000.00 1160000.00 982000.00 2070000.00 1380000.00 1900000.00 1480000.00 1080000.00 1810000.00 1330000.00 1130000.00 3060000.00 1430000.00 (7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaenoic acid 505000.00 339000.00 335000.00 708000.00 452000.00 277000.00 1050000.00 370000.00 344000.00 268000.00 282000.00 463000.00 360000.00 258000.00 641000.00 348000.00 852000.00 648000.00 525000.00 1020000.00 529000.00 509000.00 1360000.00 719000.00 1940000.00 1380000.00 1100000.00 2080000.00 1180000.00 944000.00 2000000.00 1190000.00 635000.00 354000.00 340000.00 810000.00 494000.00 332000.00 965000.00 433000.00 784000.00 562000.00 607000.00 915000.00 693000.00 675000.00 1360000.00 690000.00 1050000.00 760000.00 767000.00 1280000.00 808000.00 730000.00 1690000.00 963000.00 595000.00 434000.00 365000.00 813000.00 462000.00 380000.00 1120000.00 486000.00 738000.00 597000.00 488000.00 902000.00 748000.00 549000.00 1180000.00 722000.00 940000.00 660000.00 760000.00 1260000.00 851000.00 756000.00 1560000.00 834000.00 2-Methyleneglutarate 6940000.00 7230000.00 8560000.00 7650000.00 7900000.00 7890000.00 8030000.00 7850000.00 7170000.00 8850000.00 7880000.00 7270000.00 7580000.00 7960000.00 8720000.00 7380000.00 6850000.00 5810000.00 6040000.00 6790000.00 7220000.00 6840000.00 5360000.00 5880000.00 3680000.00 3690000.00 3770000.00 3990000.00 3790000.00 3450000.00 4050000.00 3710000.00 7900000.00 7630000.00 7170000.00 7290000.00 7400000.00 7940000.00 8340000.00 6880000.00 6390000.00 7940000.00 7180000.00 8120000.00 6360000.00 7920000.00 8030000.00 6500000.00 6620000.00 6630000.00 5870000.00 6370000.00 6540000.00 7050000.00 7200000.00 6300000.00 7640000.00 7060000.00 7840000.00 9030000.00 6940000.00 7710000.00 7060000.00 8300000.00 7110000.00 8020000.00 7460000.00 7080000.00 5720000.00 7120000.00 6470000.00 8080000.00 6120000.00 6450000.00 6840000.00 6010000.00 6260000.00 7040000.00 6780000.00 5840000.00 D-glucono-1,5-lactone 506000.00 293000.00 526000.00 436000.00 503000.00 535000.00 633000.00 326000.00 363000.00 548000.00 435000.00 547000.00 404000.00 297000.00 491000.00 509000.00 441000.00 357000.00 322000.00 341000.00 279000.00 400000.00 315000.00 419000.00 238000.00 217000.00 342000.00 339000.00 278000.00 226000.00 241000.00 264000.00 434000.00 399000.00 452000.00 429000.00 462000.00 492000.00 469000.00 383000.00 427000.00 379000.00 427000.00 466000.00 400000.00 453000.00 488000.00 339000.00 440000.00 438000.00 371000.00 402000.00 380000.00 420000.00 453000.00 337000.00 506000.00 581000.00 458000.00 414000.00 545000.00 477000.00 402000.00 466000.00 402000.00 440000.00 483000.00 409000.00 402000.00 474000.00 351000.00 465000.00 352000.00 407000.00 366000.00 454000.00 381000.00 409000.00 490000.00 302000.00 10-Hydroxydecanoic acid 284000.00 221000.00 254000.00 256000.00 311000.00 224000.00 397000.00 249000.00 298000.00 287000.00 279000.00 295000.00 351000.00 275000.00 524000.00 232000.00 572000.00 450000.00 435000.00 445000.00 644000.00 519000.00 712000.00 637000.00 715000.00 601000.00 788000.00 712000.00 1090000.00 790000.00 966000.00 1080000.00 298000.00 206000.00 299000.00 247000.00 331000.00 213000.00 314000.00 271000.00 356000.00 311000.00 415000.00 312000.00 417000.00 290000.00 571000.00 400000.00 497000.00 344000.00 463000.00 536000.00 558000.00 249000.00 788000.00 510000.00 263000.00 236000.00 276000.00 239000.00 286000.00 206000.00 491000.00 316000.00 386000.00 299000.00 347000.00 404000.00 440000.00 261000.00 474000.00 323000.00 523000.00 328000.00 406000.00 412000.00 573000.00 339000.00 646000.00 522000.00 Oxalosuccinate 1120000.00 921000.00 1550000.00 1910000.00 1180000.00 1880000.00 866000.00 1370000.00 1220000.00 1060000.00 1540000.00 1810000.00 1180000.00 1710000.00 1070000.00 1470000.00 1400000.00 986000.00 1650000.00 2050000.00 1170000.00 2150000.00 994000.00 1170000.00 1320000.00 1000000.00 1500000.00 1740000.00 1130000.00 2180000.00 1180000.00 1490000.00 1260000.00 941000.00 1580000.00 1640000.00 1210000.00 1710000.00 1170000.00 1200000.00 1400000.00 1050000.00 1580000.00 1880000.00 1260000.00 1830000.00 1050000.00 1230000.00 1290000.00 949000.00 1580000.00 2020000.00 1230000.00 1670000.00 964000.00 1230000.00 1380000.00 959000.00 1790000.00 1570000.00 1040000.00 1920000.00 1020000.00 1530000.00 1370000.00 1070000.00 1730000.00 1010000.00 1210000.00 1850000.00 1110000.00 1230000.00 1360000.00 1130000.00 1630000.00 1620000.00 1100000.00 1810000.00 930000.00 1240000.00 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name CmpdID quantitated m/z Retention time (medium) ATP C00002 505.9883 0.59 ADP C00008 426.0223 0.59 AMP C00020 346.0538 0.64 GDP C00035 442.0162 0.59 Thymidine C00214 241.0814 0.65 UDP C00015 402.9997 0.76 UMP C00105 323.0285 0.62 Inosine C00294 267.0726 0.64 Urate C00366 167.0201 0.64 5-6-Dihydrothymine C00906 127.0499 0.65 Pyridoxamine 5'-phosphate C00647 247.0449 1.73 Nicotinate ribonucleotide C01185 335.0337 0.64 Phosphate C00009 96.9682 0.61 Diphosphate C00013 176.9347 0.60 D-Glucose C00031 179.0554 0.6515 D-Glucose 6-phosphate C00092 259.0223 0.5902 D-Glyceraldehyde 3-phosphate/Glycerone phosphate C00118 168.9893 0.6092 1-3-Bisphosphoglycerate C00236 264.9520 0.5326 2/3-Phospho-D-glycerate C00631 182.9961 0.5760 Pyruvate C00022 87.0073 0.5902 Lactate C01432 89.0229 0.6281 Maltose C00208 341.1091 0.6529 Mannitol C00392 181.0700 0.6564 D-Ribose C00121 149.0446 0.6508 D-Rhamnose C01684 163.0603 0.6731 D-Arabitol C01904 151.0603 0.6558 Citrate C00158 191.0187 0.5837 2-Oxoglutarate C00026 145.0130 0.5908 Succinate C00042 117.0179 0.5917 Fumarate C00122 115.0023 0.6043 Malate C00149 133.0129 0.5902 Oxaloacetate C00036 130.9979 0.5831 Itaconate C00490 129.0180 0.5896 2-Hydroxyglutarate/Citramalate C02630 147.0287 0.5851 Sedoheptulose 7-phosphate C05382 289.0365 0.61 alpha-D-Ribose 1-phosphate C00620 229.0114 0.59 Ascorbate C00072 175.0239 0.62 Dehydroascorbate C05422 173.0081 0.59 N-Acetylneuraminate C00270 308.0990 0.62 1-4-beta-D-Xylan C02352 131.0338 0.65 UDP-N-acetyl-D-glucosamine C00043 606.0746 0.67 N-Succinyl-L-glutamate 5-semialdehyde C05932 230.0643 0.64 Taurine C00245 124.0060 0.6456 Indole C00463 116.0495 1.7189 Sphinganine 1-phosphate C01120 380.2575 3.8659 Butanoic acid C00246 87.0438 0.6678 Hexanoic acid (caproate) C01585 115.0752 1.7591 Heptanoic acid C17714 129.0908 1.8173 Octanoic acid (caprylate) C06423 143.1065 2.0093 Nonanoic acid (pelargonate) C01601 157.1223 2.0910 Decanoic acid (caprate) C01571 171.1380 2.1604 Dodecanoic acid C02679 199.1699 2.3161 Tetradecanoic acid C06424 227.2012 2.5335 Hexadecanoic acid C00249 255.2326 2.8735 Octadecanoic acid C01530 283.2641 3.3593 Tetradecenoic acid C08322 225.1856 2.3461 Hexadecenoic acid C08362 253.2170 2.5662 Octadecenoic acid C00712 281.2482 2.9099 Linoleate C01595 279.2328 2.6153 Octadecatrienoic acid C06427 277.2172 2.4333 Eicosatetraenoic acid C00219 303.2330 2.5259 Eicosapentaenoic acid C06428 301.2171 2.3785 Docosahexaenoic acid C06429 327.2333 2.4410 Dodecanedioic acid C02678 229.1445 1.7552 (8Z-11Z-14Z)-Icosatrienoic acid C03242 305.2485 2.6830 (5Z-8Z-11Z-14Z-17Z)-Icosapentaenoic acid C06428 301.2171 2.3785 (7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaenoic acid C16513 329.2486 2.5459 2-Methyleneglutarate C02930 143.0339 0.6518 D-glucono-1,5-lactone C00198 177.0397 0.6699 10-Hydroxydecanoic acid C02774 187.1330 1.7881 Oxalosuccinate C05379 189.0061 1.7129 METABOLITES_END #END