#METABOLOMICS WORKBENCH naviaux@ucsd.edu_20170517_154534 DATATRACK_ID:913 STUDY_ID:ST000617 ANALYSIS_ID:AN000946 PROJECT_ID:PR000451 VERSION 1 CREATED_ON June 5, 2017, 2:58 pm #PROJECT PR:PROJECT_TITLE Clinical validation for the utility of targeted metabolomic method in chronic PR:PROJECT_TITLE fatigue syndrome PR:PROJECT_TYPE Plasma samples PR:PROJECT_SUMMARY Chronic fatigue syndrome (CFS) is a complex, multisystem disease that has PR:PROJECT_SUMMARY affected more than 2 million people in the United States. No biochemical PR:PROJECT_SUMMARY diagnostic lab test is currently available.As a practical test of the PR:PROJECT_SUMMARY reproducibility of our new metabolomic method, we reanalyzed 40 samples from an PR:PROJECT_SUMMARY earlier CFS study PR:INSTITUTE University of California, San Diego PR:DEPARTMENT Department of Medicine PR:LAST_NAME Naviaux PR:FIRST_NAME Robert PR:ADDRESS 214 Dickinson St., Bldg CTF, Rm C102, San Diego, CA, 92103, USA PR:EMAIL naviaux@ucsd.edu PR:PHONE 619-543-2904 #STUDY ST:STUDY_TITLE Validation of the application of targeted metabolomic appraoch in the diagnosis ST:STUDY_TITLE of CFS ST:STUDY_TYPE Plasma metabolomic profiling ST:STUDY_SUMMARY This study was to validate the utility of the developed targeted metabolomic ST:STUDY_SUMMARY method in the diagnosis of chronic fatigue syndrome (CFS). Clinical validation ST:STUDY_SUMMARY consisted of a cohort of 20 male CFS (53 ± 2.8 years old, mean ± SEM, range ST:STUDY_SUMMARY 21-67 y) and 18 male controls (53 ± 3.5 years old, mean ± SEM, range 23-69 y), ST:STUDY_SUMMARY who were enrolled in a previous study (Naviaux et al. 2016). These plasma ST:STUDY_SUMMARY samples were stored in -80 ºC for about 1.5 years and reanalyzed on a different ST:STUDY_SUMMARY LC-MS/MS system by a different investigator. ST:INSTITUTE University of California, San Diego ST:DEPARTMENT Department of Medicine ST:LABORATORY The Mitochondrial and Metabolic Disease Center ST:LAST_NAME Naviaux ST:FIRST_NAME Robert ST:ADDRESS 214 Dikinson Street, CTF-C102, San Diego, CA, 92103 ST:EMAIL rnaviaux@ucsd.edu ST:PHONE 619-993-2904 ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 38 ST:NUM_MALES 38 ST:STUDY_COMMENTS These plasma samples were stored in -80 ºC for about 1.5 years and reanalyzed ST:STUDY_COMMENTS on a different LC-MS/MS system by a different investigator. #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:AGE_OR_AGE_RANGE 53 ± 3.5 (23-69 yr) SU:GENDER Male SU:HUMAN_ETHNICITY White/non-Hispanic #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - M56MF_003 Treatment:Control SUBJECT_SAMPLE_FACTORS - M66CC_039 Treatment:Control SUBJECT_SAMPLE_FACTORS - M65WA_030 Treatment:Control SUBJECT_SAMPLE_FACTORS - M54MD_004 Treatment:Control SUBJECT_SAMPLE_FACTORS - M27RW_001 Treatment:Control SUBJECT_SAMPLE_FACTORS - M37AF_034 Treatment:Control SUBJECT_SAMPLE_FACTORS - M46MP_010 Treatment:Control SUBJECT_SAMPLE_FACTORS - M23CV_036 Treatment:Control SUBJECT_SAMPLE_FACTORS - M26JC_040 Treatment:Control SUBJECT_SAMPLE_FACTORS - M47WA_009 Treatment:Control SUBJECT_SAMPLE_FACTORS - M58JG_031 Treatment:Control SUBJECT_SAMPLE_FACTORS - M58RN_007 Treatment:Control SUBJECT_SAMPLE_FACTORS - M59JM_035 Treatment:Control SUBJECT_SAMPLE_FACTORS - M62JR_041 Treatment:Control SUBJECT_SAMPLE_FACTORS - M63RD_029 Treatment:Control SUBJECT_SAMPLE_FACTORS - M64EG_032 Treatment:Control SUBJECT_SAMPLE_FACTORS - M67NN_033 Treatment:Control SUBJECT_SAMPLE_FACTORS - M69JB_037 Treatment:Control SUBJECT_SAMPLE_FACTORS - 209_CFS Treatment:CFS SUBJECT_SAMPLE_FACTORS - 219_CFS Treatment:CFS SUBJECT_SAMPLE_FACTORS - 205_CFS Treatment:CFS SUBJECT_SAMPLE_FACTORS - 206_CFS Treatment:CFS SUBJECT_SAMPLE_FACTORS - 201_CFS Treatment:CFS SUBJECT_SAMPLE_FACTORS - 202_CFS Treatment:CFS SUBJECT_SAMPLE_FACTORS - 207_CFS Treatment:CFS SUBJECT_SAMPLE_FACTORS - 210_CFS Treatment:CFS SUBJECT_SAMPLE_FACTORS - 211_CFS Treatment:CFS SUBJECT_SAMPLE_FACTORS - 213_CFS Treatment:CFS SUBJECT_SAMPLE_FACTORS - 214_CFS Treatment:CFS SUBJECT_SAMPLE_FACTORS - 215_CFS Treatment:CFS SUBJECT_SAMPLE_FACTORS - 218_CFS Treatment:CFS SUBJECT_SAMPLE_FACTORS - 221_CFS Treatment:CFS SUBJECT_SAMPLE_FACTORS - 223_CFS Treatment:CFS SUBJECT_SAMPLE_FACTORS - 225_CFS Treatment:CFS SUBJECT_SAMPLE_FACTORS - 224_CFS Treatment:CFS SUBJECT_SAMPLE_FACTORS - 231_CFS Treatment:CFS SUBJECT_SAMPLE_FACTORS - 228_CFS Treatment:CFS SUBJECT_SAMPLE_FACTORS - 208_CFS Treatment:CFS #COLLECTION CO:COLLECTION_SUMMARY Blood samples from 18 male subjects with chronic fatigue syndrome and 20 age and CO:COLLECTION_SUMMARY sex matched controls were collected. Plasma was prepared according to the CO:COLLECTION_SUMMARY standard protocol. The metabolites were extracted from CO:SAMPLE_TYPE Blood CO:COLLECTION_METHOD Lithium-heparin vacutainer tubes CO:STORAGE_CONDITIONS -80 C CO:COLLECTION_VIALS Lithium-heparin vacutainer tubes CO:COLLECTION_TUBE_TEMP -80 C CO:BLOOD_SERUM_OR_PLASMA Plasma #TREATMENT TR:TREATMENT_SUMMARY No treatment. There are only two groups: control and disease group (Chronic TR:TREATMENT_SUMMARY fatigue syndrome) #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Metabolites from plasma were extracted using pre-chilled methanol/acetonitrile SP:SAMPLEPREP_SUMMARY (50:50) SP:EXTRACTION_METHOD Typically, 90 μl of plasma was thawed on ice and mixed with 5 μl of isotope SP:EXTRACTION_METHOD standards and incubated for 10 min at 20°C to permit small molecules and SP:EXTRACTION_METHOD vitamins in the internal standards to associate with plasma binding proteins. SP:EXTRACTION_METHOD Macromolecules (protein, DNA, RNA, glycans, etc.) were precipitated by SP:EXTRACTION_METHOD extraction with 4 volumes (400 μl) of cold (-20°C), acetonitrile:methanol SP:EXTRACTION_METHOD (50:50) and incubated on crushed ice for 10 min, then removed by centrifugation SP:EXTRACTION_METHOD at 16,000g x 10 min at 4°C. The supernatants containing the extracted SP:EXTRACTION_METHOD metabolites and internal standards were transferred to labeled cryotubes and SP:EXTRACTION_METHOD stored at -80°C for LCMS/MS analysis. SP:EXTRACT_STORAGE -80 SP:SAMPLE_DERIVATIZATION No SP:SAMPLE_SPIKING 25-35 commercial stable isotope internal standards, and 57 stable isotope SP:SAMPLE_SPIKING internal standards that were custom-synthesized in E. coli and S. cerevisiae by SP:SAMPLE_SPIKING metabolic labeling with 13C-glucose and 13C bicarbonate #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY hydrophilic interaction chromatography (HILIC) on shodex column CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Shimadzu 20AD CH:COLUMN_NAME Shodex NH2P-40 2E (250 mm × 2.0 mm) CH:FLOW_GRADIENT 0-3.5 min: 95%B, 3.6-8 min: 85% B, 8.1-13 min: 75% B, 13.5–35 min: 0% B, CH:FLOW_GRADIENT 36–46 min: 95% B, 46.1 min: end. CH:FLOW_RATE 0.2 ml/min CH:COLUMN_TEMPERATURE 25 C CH:SOLVENT_A 95% water with 20 mM (NH4)2CO3, 5% acetonitrile, and 38 mM NH4OH, final pH 9.8 CH:SOLVENT_B 100% acetonitrile CH:COLUMN_PRESSURE 900~2800 psi CH:INJECTION_TEMPERATURE room temperature CH:ANALYTICAL_TIME 46.1 min CH:OVEN_TEMPERATURE 25 C CH:SAMPLE_LOOP_SIZE 10 ul CH:SAMPLE_SYRINGE_SIZE 100 ul #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME Naviaux Lab in UCSD AN:OPERATOR_NAME K.L AN:SOFTWARE_VERSION Analyst 1.6.2 #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME ABI Sciex 5500 QTrap MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:COLLISION_ENERGY Compound-specific MS:COLLISION_GAS High MS:ION_SOURCE_TEMPERATURE 500 C MS:ION_SPRAY_VOLTAGE -4500 MS:IONIZATION ESI MS:MASS_ACCURACY 0.1 Da MS:SCANNING MRM #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS AUC MS_METABOLITE_DATA_START Samples M56MF_003 M66CC_039 M65WA_030 M54MD_004 M27RW_001 M37AF_034 M46MP_010 M23CV_036 M26JC_040 M47WA_009 M58JG_031 M58RN_007 M59JM_035 M62JR_041 M63RD_029 M64EG_032 M67NN_033 M69JB_037 209_CFS 219_CFS 205_CFS 206_CFS 201_CFS 202_CFS 207_CFS 210_CFS 211_CFS 213_CFS 214_CFS 215_CFS 218_CFS 221_CFS 223_CFS 225_CFS 224_CFS 231_CFS 228_CFS 208_CFS Factors Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:CFS Treatment:CFS Treatment:CFS Treatment:CFS Treatment:CFS Treatment:CFS Treatment:CFS Treatment:CFS Treatment:CFS Treatment:CFS Treatment:CFS Treatment:CFS Treatment:CFS Treatment:CFS Treatment:CFS Treatment:CFS Treatment:CFS Treatment:CFS Treatment:CFS Treatment:CFS 12-HETE 385000.00 23500.00 150000.00 60400.00 37000.00 27400.00 147000.00 571000.00 207000.00 42200.00 94800.00 127000.00 197000.00 27200.00 191000.00 134000.00 150000.00 86100.00 74500.00 45100.00 140000.00 317000.00 52500.00 83900.00 132000.00 22700.00 109000.00 111000.00 185000.00 223000.00 183000.00 86200.00 52300.00 373000.00 52800.00 24200.00 64800.00 188000.00 13S-hydroxyoctadecadienoic acid 609000.00 835000.00 1510000.00 486000.00 8330000.00 476000.00 1780000.00 584000.00 958000.00 493000.00 3050000.00 826000.00 378000.00 3270000.00 5340000.00 1070000.00 499000.00 922000.00 1000000.00 1810000.00 1470000.00 457000.00 1040000.00 1430000.00 17600000.00 2570000.00 1410000.00 2270000.00 488000.00 733000.00 2640000.00 1510000.00 1130000.00 858000.00 507000.00 412000.00 1740000.00 2160000.00 2,3-Diphosphoglyceric acid 66100.00 57800.00 58300.00 75400.00 72700.00 99000.00 90500.00 65300.00 93600.00 98300.00 85400.00 87700.00 87600.00 80400.00 51200.00 55100.00 83300.00 71200.00 68900.00 71700.00 81900.00 76500.00 71200.00 97800.00 82400.00 80900.00 57000.00 69200.00 58500.00 85300.00 59800.00 80700.00 92900.00 112000.00 83400.00 54200.00 81300.00 87700.00 20-Hydroxyeicosatetraenoic acid 279000.00 82100.00 194000.00 182000.00 130000.00 93100.00 153000.00 435000.00 204000.00 114000.00 110000.00 135000.00 172000.00 129000.00 192000.00 159000.00 129000.00 128000.00 98500.00 134000.00 138000.00 264000.00 114000.00 234000.00 152000.00 128000.00 132000.00 127000.00 213000.00 152000.00 180000.00 176000.00 165000.00 316000.00 162000.00 107000.00 131000.00 280000.00 2-Hydroxy-3-methylbutyric acid 27500000.00 32700000.00 21400000.00 29600000.00 56400000.00 39600000.00 28900000.00 47400000.00 59100000.00 59600000.00 20200000.00 41900000.00 27000000.00 21700000.00 32300000.00 44000000.00 61300000.00 23900000.00 31000000.00 19500000.00 33500000.00 35200000.00 35700000.00 25200000.00 24700000.00 30300000.00 39800000.00 12900000.00 40100000.00 32800000.00 17700000.00 15600000.00 15300000.00 28400000.00 29600000.00 27900000.00 22600000.00 19900000.00 2-Hydroxyglutarate 1110000.00 718000.00 597000.00 950000.00 934000.00 616000.00 554000.00 948000.00 574000.00 625000.00 652000.00 725000.00 827000.00 598000.00 671000.00 824000.00 776000.00 547000.00 732000.00 763000.00 724000.00 816000.00 792000.00 1000000.00 753000.00 466000.00 543000.00 640000.00 706000.00 621000.00 745000.00 441000.00 588000.00 535000.00 695000.00 721000.00 432000.00 835000.00 2-Isopropylmalic acid 307000.00 222000.00 319000.00 224000.00 230000.00 156000.00 267000.00 91200.00 139000.00 143000.00 494000.00 193000.00 135000.00 205000.00 287000.00 245000.00 239000.00 893000.00 214000.00 337000.00 191000.00 181000.00 226000.00 3780000.00 203000.00 563000.00 673000.00 293000.00 150000.00 165000.00 301000.00 107000.00 131000.00 180000.00 124000.00 96000.00 516000.00 637000.00 2-Ketobutyric acid 61700000.00 61900000.00 62900000.00 61000000.00 61000000.00 60700000.00 63400000.00 62300000.00 58400000.00 58000000.00 56000000.00 57400000.00 55700000.00 55400000.00 56400000.00 54100000.00 52500000.00 53800000.00 62700000.00 57900000.00 58200000.00 60500000.00 59600000.00 59800000.00 57900000.00 54200000.00 57600000.00 54100000.00 54400000.00 54500000.00 56700000.00 55000000.00 55300000.00 54000000.00 51400000.00 52600000.00 54200000.00 63600000.00 2-Ketohexanoic acid 460000.00 777000.00 394000.00 617000.00 591000.00 237000.00 282000.00 806000.00 248000.00 469000.00 369000.00 278000.00 441000.00 476000.00 719000.00 568000.00 518000.00 402000.00 420000.00 382000.00 611000.00 423000.00 265000.00 733000.00 355000.00 566000.00 167000.00 357000.00 812000.00 486000.00 298000.00 560000.00 736000.00 263000.00 493000.00 145000.00 205000.00 866000.00 2-Keto-L-gluconate 1440000.00 1380000.00 1790000.00 1300000.00 1370000.00 1200000.00 1450000.00 1100000.00 1250000.00 1130000.00 1270000.00 874000.00 1270000.00 1630000.00 1170000.00 1960000.00 875000.00 1910000.00 1800000.00 1980000.00 1250000.00 1770000.00 1010000.00 1980000.00 1750000.00 1630000.00 1410000.00 1120000.00 1270000.00 1500000.00 1360000.00 1340000.00 1080000.00 1290000.00 956000.00 1020000.00 845000.00 1940000.00 2-Methylcitric acid 239000.00 350000.00 210000.00 333000.00 237000.00 229000.00 143000.00 220000.00 166000.00 220000.00 123000.00 207000.00 247000.00 243000.00 229000.00 197000.00 269000.00 190000.00 180000.00 130000.00 375000.00 154000.00 184000.00 232000.00 211000.00 186000.00 254000.00 151000.00 207000.00 138000.00 182000.00 164000.00 142000.00 150000.00 288000.00 190000.00 112000.00 183000.00 2-Pyrocatechuic acid 32500000.00 17900000.00 29500000.00 12300000.00 30300000.00 8670000.00 57300000.00 52400000.00 27900000.00 23700000.00 7370000.00 22000000.00 31800000.00 62300000.00 118000000.00 10000000.00 15800000.00 19500000.00 20400000.00 10500000.00 21600000.00 36800000.00 14100000.00 47600000.00 54600000.00 6150000.00 15700000.00 30300000.00 17700000.00 18100000.00 47400000.00 11600000.00 11400000.00 14500000.00 11400000.00 89400000.00 13500000.00 47800000.00 3-methylphenylacetic acid 381000.00 230000.00 105000.00 252000.00 238000.00 179000.00 156000.00 217000.00 442000.00 522000.00 711000.00 136000.00 115000.00 399000.00 737000.00 832000.00 563000.00 197000.00 336000.00 640000.00 265000.00 259000.00 304000.00 712000.00 169000.00 157000.00 1750000.00 719000.00 407000.00 293000.00 104000.00 452000.00 253000.00 917000.00 304000.00 235000.00 285000.00 198000.00 3-Phosphoglyceric acid 140000.00 109000.00 235000.00 119000.00 116000.00 148000.00 135000.00 84900.00 151000.00 158000.00 59100.00 78500.00 221000.00 114000.00 87000.00 68200.00 89500.00 63800.00 368000.00 607000.00 83300.00 90700.00 133000.00 96000.00 105000.00 203000.00 66700.00 77600.00 241000.00 65400.00 87300.00 30700.00 63100.00 131000.00 28900.00 70700.00 260000.00 170000.00 4-Hydroxybenzoic acid 2570000.00 2400000.00 2820000.00 2810000.00 3290000.00 3190000.00 2560000.00 2210000.00 3390000.00 3110000.00 2500000.00 2730000.00 2230000.00 2430000.00 1960000.00 2950000.00 2920000.00 2320000.00 2020000.00 2180000.00 2580000.00 3860000.00 3500000.00 3700000.00 2560000.00 2970000.00 2610000.00 2540000.00 2440000.00 2120000.00 2900000.00 2310000.00 2660000.00 3100000.00 2060000.00 3040000.00 2770000.00 2400000.00 4-Hydroxyphenyllactic acid 2810000.00 4000000.00 2490000.00 3950000.00 4380000.00 4100000.00 2620000.00 3050000.00 3420000.00 3800000.00 2250000.00 3460000.00 6150000.00 3420000.00 2850000.00 3000000.00 4100000.00 3480000.00 2910000.00 1960000.00 4030000.00 4610000.00 2710000.00 2850000.00 4070000.00 2160000.00 1890000.00 2700000.00 2550000.00 3230000.00 2680000.00 2300000.00 1380000.00 1370000.00 2810000.00 2340000.00 1870000.00 2680000.00 4-Hydroxyphenylpyruvic acid 161000.00 150000.00 116000.00 125000.00 88900.00 124000.00 84100.00 102000.00 138000.00 100000.00 156000.00 129000.00 57500.00 116000.00 69900.00 122000.00 64400.00 105000.00 123000.00 174000.00 63800.00 129000.00 182000.00 100000.00 99100.00 135000.00 108000.00 95700.00 97100.00 133000.00 93800.00 138000.00 109000.00 77800.00 90300.00 80300.00 112000.00 131000.00 4-Pyridoxic acid 34000000.00 11900000.00 82500000.00 6430000.00 6120000.00 4070000.00 17900000.00 4880000.00 28000000.00 6650000.00 279000000.00 5760000.00 15200000.00 37900000.00 11800000.00 26100000.00 4650000.00 6020000.00 23300000.00 104000000.00 16000000.00 15800000.00 9270000.00 176000000.00 21600000.00 65200000.00 692000000.00 62400000.00 8320000.00 88100000.00 49500000.00 34400000.00 137000000.00 105000000.00 3690000.00 5380000.00 14300000.00 268000000.00 Acetic acid 20700000.00 18800000.00 78900000.00 23000000.00 16000000.00 16100000.00 19500000.00 18900000.00 13100000.00 12900000.00 11700000.00 14900000.00 9760000.00 14200000.00 9050000.00 20000000.00 12900000.00 9900000.00 18200000.00 22200000.00 18800000.00 19400000.00 14700000.00 22300000.00 34800000.00 13100000.00 20500000.00 14300000.00 10800000.00 13200000.00 12700000.00 20400000.00 14000000.00 11700000.00 16300000.00 11700000.00 51500000.00 28200000.00 Acetoacetic acid 90800000.00 91900000.00 96000000.00 87800000.00 88300000.00 89400000.00 92200000.00 90100000.00 86600000.00 88000000.00 83800000.00 87300000.00 86100000.00 80500000.00 84200000.00 80900000.00 80100000.00 84800000.00 91400000.00 88500000.00 84400000.00 90400000.00 85100000.00 95100000.00 89000000.00 80900000.00 80400000.00 82900000.00 82500000.00 79200000.00 82700000.00 82200000.00 83600000.00 83400000.00 80100000.00 82300000.00 83800000.00 89900000.00 Adenosine diphosphate 39600.00 37200.00 44400.00 52000.00 58800.00 41800.00 28600.00 47800.00 24300.00 51200.00 51200.00 45300.00 27500.00 41400.00 34500.00 40800.00 43900.00 36600.00 34500.00 30700.00 49200.00 30100.00 39600.00 46100.00 34200.00 51200.00 47300.00 39500.00 52200.00 31600.00 28300.00 34600.00 33800.00 37000.00 24800.00 39800.00 45600.00 38700.00 Adipic acid 325000.00 293000.00 346000.00 314000.00 409000.00 393000.00 362000.00 364000.00 336000.00 371000.00 348000.00 314000.00 296000.00 276000.00 332000.00 313000.00 409000.00 335000.00 268000.00 360000.00 332000.00 352000.00 395000.00 330000.00 346000.00 318000.00 307000.00 322000.00 326000.00 336000.00 309000.00 361000.00 363000.00 249000.00 332000.00 329000.00 297000.00 290000.00 AICAR 137000.00 188000.00 218000.00 69200.00 186000.00 213000.00 191000.00 286000.00 288000.00 78800.00 293000.00 198000.00 196000.00 419000.00 573000.00 286000.00 119000.00 253000.00 354000.00 215000.00 272000.00 430000.00 185000.00 286000.00 313000.00 112000.00 181000.00 185000.00 223000.00 421000.00 201000.00 289000.00 226000.00 145000.00 217000.00 262000.00 131000.00 504000.00 Allantoic acid 869000.00 650000.00 1090000.00 668000.00 759000.00 734000.00 778000.00 744000.00 778000.00 873000.00 872000.00 521000.00 850000.00 672000.00 778000.00 887000.00 623000.00 514000.00 977000.00 809000.00 810000.00 982000.00 939000.00 1190000.00 652000.00 808000.00 666000.00 616000.00 882000.00 643000.00 735000.00 439000.00 703000.00 761000.00 616000.00 589000.00 745000.00 652000.00 Alpha-ketoisovaleric acid 602000.00 716000.00 953000.00 607000.00 747000.00 897000.00 781000.00 940000.00 764000.00 596000.00 747000.00 1090000.00 757000.00 568000.00 562000.00 829000.00 948000.00 942000.00 645000.00 642000.00 553000.00 908000.00 869000.00 999000.00 835000.00 627000.00 688000.00 671000.00 609000.00 507000.00 486000.00 440000.00 919000.00 661000.00 733000.00 826000.00 673000.00 932000.00 Aminoadipic acid 367000.00 254000.00 304000.00 427000.00 415000.00 287000.00 344000.00 336000.00 487000.00 420000.00 474000.00 375000.00 423000.00 269000.00 287000.00 1160000.00 546000.00 473000.00 375000.00 363000.00 437000.00 690000.00 368000.00 661000.00 396000.00 482000.00 612000.00 592000.00 356000.00 391000.00 335000.00 433000.00 365000.00 480000.00 356000.00 496000.00 297000.00 416000.00 Androsterone sulfate 51900000.00 85300000.00 61300000.00 65500000.00 79200000.00 52300000.00 66100000.00 111000000.00 65000000.00 61500000.00 23800000.00 49900000.00 93300000.00 67100000.00 138000000.00 15900000.00 75000000.00 60000000.00 37300000.00 10100000.00 55200000.00 81300000.00 50400000.00 77000000.00 97500000.00 57100000.00 56900000.00 54800000.00 58200000.00 61000000.00 52500000.00 74900000.00 115000000.00 65600000.00 27100000.00 48900000.00 111000000.00 106000000.00 Arachidonic Acid 2330000.00 2110000.00 3680000.00 3800000.00 3590000.00 1220000.00 2000000.00 2470000.00 2290000.00 2120000.00 1820000.00 4390000.00 2480000.00 2160000.00 1990000.00 1890000.00 2570000.00 2110000.00 1240000.00 1600000.00 1500000.00 2000000.00 2210000.00 1550000.00 2000000.00 2180000.00 1320000.00 1200000.00 1660000.00 2540000.00 2370000.00 1620000.00 1420000.00 4400000.00 2520000.00 1780000.00 1300000.00 2890000.00 Arginine 33200000.00 42500000.00 24800000.00 23300000.00 35000000.00 21500000.00 23500000.00 21900000.00 41600000.00 25400000.00 22000000.00 18700000.00 25000000.00 29400000.00 25500000.00 31600000.00 26100000.00 30000000.00 33900000.00 30100000.00 37700000.00 28600000.00 48900000.00 34700000.00 47400000.00 40000000.00 31200000.00 55400000.00 18600000.00 20700000.00 37500000.00 38300000.00 34600000.00 52700000.00 14400000.00 33900000.00 29600000.00 31000000.00 Benzoic acid 3220000.00 3190000.00 3090000.00 3050000.00 2660000.00 2610000.00 2680000.00 2970000.00 2670000.00 2370000.00 2700000.00 2790000.00 2370000.00 2190000.00 3010000.00 2650000.00 2840000.00 2060000.00 2590000.00 2660000.00 2380000.00 2700000.00 2450000.00 3740000.00 1970000.00 1930000.00 2550000.00 2460000.00 2640000.00 2650000.00 2510000.00 2400000.00 2590000.00 2150000.00 2640000.00 4380000.00 2770000.00 3030000.00 Chenodeoxycholic acid 843000.00 118000.00 230000.00 243000.00 298000.00 80800.00 265000.00 130000.00 126000.00 336000.00 52500.00 108000.00 41200.00 203000.00 200000.00 20800.00 149000.00 170000.00 254000.00 119000.00 45900.00 295000.00 314000.00 126000.00 221000.00 1210000.00 141000.00 260000.00 889000.00 228000.00 111000.00 133000.00 38700.00 112000.00 116000.00 423000.00 53100.00 2540000.00 Chenodeoxyglycocholic acid 32200000.00 21600000.00 192000000.00 84700000.00 107000000.00 18400000.00 18600000.00 26200000.00 28000000.00 88400000.00 22900000.00 6780000.00 3010000.00 30900000.00 24600000.00 66000000.00 49900000.00 31000000.00 67400000.00 45800000.00 8120000.00 9490000.00 20500000.00 23700000.00 50500000.00 145000000.00 77900000.00 37900000.00 124000000.00 86200000.00 29900000.00 34300000.00 16700000.00 26900000.00 24600000.00 35400000.00 25400000.00 123000000.00 Cholesteryl sulfate 85200000.00 86900000.00 87300000.00 80700000.00 93700000.00 110000000.00 77000000.00 85800000.00 87400000.00 93300000.00 102000000.00 93600000.00 96400000.00 86700000.00 112000000.00 93900000.00 101000000.00 88400000.00 87400000.00 91800000.00 90600000.00 75000000.00 98900000.00 94400000.00 84300000.00 88300000.00 87300000.00 84700000.00 79300000.00 90300000.00 103000000.00 98000000.00 72500000.00 79200000.00 78900000.00 103000000.00 118000000.00 76500000.00 cis-aconitic acid 652000.00 453000.00 507000.00 468000.00 481000.00 370000.00 296000.00 267000.00 272000.00 303000.00 493000.00 452000.00 756000.00 846000.00 431000.00 1070000.00 386000.00 515000.00 913000.00 415000.00 903000.00 527000.00 699000.00 266000.00 568000.00 552000.00 702000.00 420000.00 256000.00 561000.00 469000.00 548000.00 588000.00 324000.00 543000.00 811000.00 444000.00 412000.00 Citramalic acid 1440000.00 1480000.00 1720000.00 1700000.00 1850000.00 1360000.00 1370000.00 1570000.00 1460000.00 1140000.00 1280000.00 1190000.00 1560000.00 1190000.00 1290000.00 1510000.00 1280000.00 1060000.00 1230000.00 1570000.00 1540000.00 1610000.00 1230000.00 1850000.00 1460000.00 1020000.00 1250000.00 1260000.00 1420000.00 1050000.00 1250000.00 1050000.00 1130000.00 1120000.00 1230000.00 1240000.00 1070000.00 1920000.00 Citric acid 292000.00 353000.00 275000.00 308000.00 252000.00 212000.00 115000.00 149000.00 146000.00 108000.00 313000.00 231000.00 471000.00 340000.00 210000.00 432000.00 224000.00 258000.00 478000.00 147000.00 217000.00 229000.00 499000.00 127000.00 269000.00 266000.00 406000.00 182000.00 110000.00 298000.00 196000.00 263000.00 247000.00 153000.00 333000.00 223000.00 157000.00 186000.00 Citrulline 24400000.00 18500000.00 30500000.00 15800000.00 19400000.00 20200000.00 18900000.00 16800000.00 24100000.00 20800000.00 21800000.00 13600000.00 21100000.00 16200000.00 21700000.00 23000000.00 18900000.00 13600000.00 21800000.00 20200000.00 21300000.00 22000000.00 19700000.00 22600000.00 17400000.00 15700000.00 15200000.00 18000000.00 20100000.00 15600000.00 19300000.00 14600000.00 20000000.00 17800000.00 18600000.00 16000000.00 21800000.00 18000000.00 CL(18:2/18:1/18:1/20:4) 381000.00 222000.00 215000.00 210000.00 283000.00 380000.00 283000.00 375000.00 258000.00 361000.00 378000.00 349000.00 157000.00 266000.00 203000.00 296000.00 161000.00 377000.00 555000.00 281000.00 222000.00 443000.00 364000.00 223000.00 531000.00 283000.00 333000.00 286000.00 270000.00 240000.00 176000.00 311000.00 343000.00 203000.00 416000.00 509000.00 111000.00 272000.00 CL(18:2/18:2/16:1/16:1) 12500000.00 20400000.00 19700000.00 13800000.00 13900000.00 9220000.00 7520000.00 11200000.00 9240000.00 9810000.00 10700000.00 14000000.00 14100000.00 13600000.00 9810000.00 12500000.00 13700000.00 13300000.00 16000000.00 17000000.00 16400000.00 10900000.00 12200000.00 20700000.00 11200000.00 10700000.00 10800000.00 15200000.00 7000000.00 13200000.00 12100000.00 12400000.00 8900000.00 7800000.00 8780000.00 8530000.00 14200000.00 14300000.00 CL(18:2/18:2/18:1/18:1) 4560000.00 5170000.00 6490000.00 2130000.00 3160000.00 4070000.00 5420000.00 4420000.00 3050000.00 3160000.00 9720000.00 2730000.00 3020000.00 2550000.00 4250000.00 6370000.00 5830000.00 3710000.00 5830000.00 6130000.00 2910000.00 6230000.00 5540000.00 5580000.00 6930000.00 4370000.00 13200000.00 4250000.00 3650000.00 3230000.00 6420000.00 9020000.00 5310000.00 2820000.00 5390000.00 6740000.00 7580000.00 4680000.00 CL(18:2/18:2/18:2/16:1) 1290000.00 1570000.00 1830000.00 938000.00 2620000.00 1710000.00 970000.00 1730000.00 1610000.00 1070000.00 1170000.00 607000.00 791000.00 1310000.00 1500000.00 1670000.00 1270000.00 1050000.00 1740000.00 862000.00 1360000.00 1330000.00 1480000.00 2220000.00 894000.00 871000.00 1330000.00 1260000.00 1300000.00 1270000.00 1750000.00 1510000.00 1230000.00 1360000.00 1340000.00 730000.00 1210000.00 1650000.00 CL(18:2/18:2/18:2/18:1) 2660000.00 3660000.00 3410000.00 2790000.00 2600000.00 3290000.00 2920000.00 2540000.00 2230000.00 2550000.00 4480000.00 1970000.00 2310000.00 2420000.00 2680000.00 2700000.00 3160000.00 2750000.00 3970000.00 4020000.00 2970000.00 3080000.00 3800000.00 3880000.00 3630000.00 3740000.00 3900000.00 2840000.00 2070000.00 2370000.00 3090000.00 5240000.00 2340000.00 1730000.00 3590000.00 2740000.00 3670000.00 4280000.00 CL(18:2/18:2/18:2/18:2) 9240000.00 11600000.00 11000000.00 6380000.00 9260000.00 10400000.00 7760000.00 8240000.00 7490000.00 6680000.00 12400000.00 5080000.00 6120000.00 6710000.00 6690000.00 9730000.00 10400000.00 9210000.00 8920000.00 12200000.00 6280000.00 9280000.00 11800000.00 11800000.00 11300000.00 12200000.00 15600000.00 8860000.00 5850000.00 9510000.00 9740000.00 16600000.00 6890000.00 5420000.00 8190000.00 9320000.00 9280000.00 10600000.00 CL(18:2/18:2/18:2/20:4) 173000.00 154000.00 107000.00 156000.00 89500.00 186000.00 117000.00 153000.00 140000.00 129000.00 158000.00 129000.00 105000.00 175000.00 132000.00 186000.00 81200.00 134000.00 182000.00 98500.00 206000.00 101000.00 134000.00 168000.00 124000.00 142000.00 82800.00 80400.00 107000.00 137000.00 110000.00 74200.00 151000.00 112000.00 168000.00 95900.00 80200.00 115000.00 CL(18:2/18:2/18:2/22:6) 689000.00 423000.00 742000.00 674000.00 807000.00 878000.00 862000.00 726000.00 744000.00 846000.00 1450000.00 535000.00 703000.00 622000.00 654000.00 675000.00 399000.00 586000.00 904000.00 967000.00 796000.00 682000.00 957000.00 970000.00 1220000.00 866000.00 1170000.00 759000.00 289000.00 552000.00 790000.00 637000.00 433000.00 654000.00 757000.00 1040000.00 531000.00 782000.00 Dehydroascorbic acid 657000.00 797000.00 874000.00 733000.00 431000.00 471000.00 317000.00 334000.00 363000.00 308000.00 556000.00 588000.00 1020000.00 614000.00 482000.00 1160000.00 538000.00 439000.00 913000.00 325000.00 505000.00 555000.00 851000.00 241000.00 595000.00 439000.00 1160000.00 424000.00 252000.00 396000.00 478000.00 554000.00 304000.00 406000.00 883000.00 430000.00 416000.00 518000.00 Dehydroepiandrosterone sulfate 85200.00 58000.00 65600.00 44900.00 79500.00 67600.00 42400.00 149000.00 42300.00 58300.00 19500.00 37400.00 47900.00 85700.00 66000.00 29900.00 58200.00 32900.00 24300.00 46800.00 31100.00 62500.00 67600.00 55000.00 63000.00 34000.00 45700.00 21000.00 57800.00 51800.00 68700.00 27100.00 84900.00 52700.00 64500.00 34200.00 18000.00 21400.00 Deoxycholic acid 2470000.00 838000.00 684000.00 1230000.00 135000.00 13800.00 2320000.00 1160000.00 1170000.00 1780000.00 893000.00 782000.00 701000.00 907000.00 632000.00 335000.00 1490000.00 794000.00 2020000.00 423000.00 420000.00 682000.00 537000.00 744000.00 3660.00 2360.00 643000.00 2490000.00 1940000.00 1060000.00 2880.00 301000.00 361000.00 907000.00 1260000.00 890000.00 40100.00 5300.00 Deoxyguanosine 83800.00 48000.00 64200.00 69600.00 72600.00 36500.00 55600.00 70300.00 71700.00 92100.00 42400.00 25000.00 46000.00 49300.00 54200.00 65400.00 65000.00 48800.00 65200.00 35700.00 59200.00 64300.00 85700.00 60100.00 79000.00 67600.00 43400.00 46000.00 37800.00 47700.00 53000.00 49900.00 56800.00 71100.00 50400.00 35600.00 21700.00 42200.00 D-Glyceraldehyde 3-phosphate 295000.00 288000.00 195000.00 262000.00 470000.00 328000.00 273000.00 228000.00 211000.00 270000.00 171000.00 283000.00 309000.00 178000.00 152000.00 249000.00 215000.00 189000.00 255000.00 243000.00 213000.00 360000.00 272000.00 366000.00 558000.00 182000.00 203000.00 172000.00 161000.00 205000.00 187000.00 222000.00 209000.00 166000.00 238000.00 184000.00 185000.00 441000.00 Docosahexaenoic acid 3410000.00 3790000.00 15400000.00 6810000.00 5090000.00 2830000.00 3340000.00 4190000.00 3810000.00 3070000.00 1390000.00 4930000.00 3670000.00 1970000.00 3130000.00 2560000.00 6180000.00 5250000.00 2470000.00 6840000.00 3810000.00 2600000.00 3920000.00 5060000.00 3070000.00 8070000.00 4540000.00 1310000.00 2870000.00 6720000.00 6010000.00 2240000.00 1850000.00 19400000.00 2580000.00 6420000.00 8800000.00 9850000.00 Eicosapentaenoic acid 215000.00 245000.00 1930000.00 406000.00 182000.00 162000.00 199000.00 317000.00 363000.00 185000.00 289000.00 283000.00 271000.00 188000.00 244000.00 182000.00 331000.00 489000.00 346000.00 1480000.00 380000.00 233000.00 272000.00 545000.00 137000.00 1040000.00 242000.00 196000.00 514000.00 304000.00 531000.00 171000.00 157000.00 1570000.00 124000.00 255000.00 834000.00 1170000.00 Gamma glutamyl-Alanine 591000.00 585000.00 298000.00 720000.00 601000.00 375000.00 508000.00 497000.00 443000.00 673000.00 506000.00 675000.00 896000.00 694000.00 452000.00 402000.00 373000.00 435000.00 573000.00 396000.00 934000.00 495000.00 976000.00 438000.00 583000.00 949000.00 598000.00 454000.00 400000.00 469000.00 476000.00 494000.00 460000.00 750000.00 533000.00 499000.00 338000.00 498000.00 Gluconic acid 8210000.00 7530000.00 5840000.00 5680000.00 6630000.00 6150000.00 6840000.00 5840000.00 4900000.00 7660000.00 6290000.00 5210000.00 6480000.00 6560000.00 5180000.00 6340000.00 5000000.00 7360000.00 9130000.00 6330000.00 5850000.00 9580000.00 7840000.00 6020000.00 7010000.00 9720000.00 6570000.00 6900000.00 5320000.00 7300000.00 5190000.00 5090000.00 6510000.00 4890000.00 4770000.00 4460000.00 3980000.00 6890000.00 Gluconolactone 283000.00 266000.00 236000.00 171000.00 233000.00 213000.00 244000.00 204000.00 204000.00 319000.00 184000.00 213000.00 231000.00 227000.00 224000.00 205000.00 186000.00 256000.00 289000.00 255000.00 224000.00 281000.00 241000.00 242000.00 252000.00 302000.00 227000.00 181000.00 197000.00 248000.00 171000.00 175000.00 177000.00 128000.00 191000.00 132000.00 131000.00 235000.00 Glyceric acid 1140000.00 1100000.00 10400.00 1160000.00 1420000.00 1050000.00 990000.00 1040000.00 1220000.00 1290000.00 1430000.00 996000.00 1120000.00 1050000.00 942000.00 975000.00 983000.00 1210000.00 1070000.00 1080000.00 1100000.00 1230000.00 1280000.00 1630000.00 1270000.00 1790000.00 1310000.00 1120000.00 963000.00 1000000.00 993000.00 953000.00 937000.00 1430000.00 890000.00 1280000.00 1170000.00 1230000.00 Glycerol 25500000.00 42700000.00 40000000.00 45100000.00 45400000.00 28400000.00 48400000.00 63800000.00 21200000.00 37900000.00 28800000.00 110000000.00 45400000.00 37400000.00 50700000.00 46700000.00 64600000.00 30800000.00 22900000.00 20100000.00 31700000.00 38000000.00 25800000.00 50400000.00 56800000.00 43500000.00 74500000.00 28400000.00 31300000.00 26700000.00 58400000.00 36700000.00 37800000.00 28600000.00 48200000.00 31500000.00 65800000.00 63400000.00 Glycerol 3-phosphate 71100.00 126000.00 110000.00 71800.00 152000.00 60700.00 85100.00 98300.00 87600.00 85300.00 115000.00 137000.00 57900.00 121000.00 108000.00 116000.00 167000.00 64200.00 119000.00 93900.00 236000.00 109000.00 139000.00 123000.00 94000.00 99500.00 42100.00 130000.00 99100.00 72600.00 72200.00 82600.00 144000.00 153000.00 72600.00 140000.00 56400.00 77800.00 Glycocholic acid 4350000.00 4090000.00 14300000.00 10500000.00 15600000.00 2720000.00 2020000.00 3110000.00 6180000.00 10400000.00 4000000.00 2780000.00 514000.00 3850000.00 2480000.00 13000000.00 5540000.00 7910000.00 7300000.00 13100000.00 1640000.00 695000.00 6060000.00 4160000.00 10300000.00 15900000.00 15300000.00 4330000.00 3470000.00 12700000.00 2250000.00 4570000.00 2120000.00 12800000.00 3230000.00 2990000.00 10500000.00 6600000.00 Glyoxylic acid 119000.00 133000.00 90700.00 97500.00 116000.00 104000.00 87600.00 42000.00 106000.00 52400.00 94700.00 99100.00 98500.00 93800.00 117000.00 103000.00 113000.00 153000.00 119000.00 165000.00 91200.00 113000.00 95500.00 107000.00 124000.00 86600.00 127000.00 118000.00 108000.00 100000.00 85600.00 97100.00 88800.00 116000.00 87300.00 102000.00 124000.00 76100.00 Guanosine 2880000.00 510000.00 511000.00 347000.00 210000.00 340000.00 374000.00 728000.00 664000.00 237000.00 284000.00 320000.00 1030000.00 463000.00 599000.00 501000.00 827000.00 603000.00 361000.00 385000.00 369000.00 721000.00 607000.00 548000.00 533000.00 178000.00 670000.00 417000.00 572000.00 976000.00 741000.00 484000.00 342000.00 636000.00 523000.00 158000.00 311000.00 391000.00 Hexacosanoic acid 124000.00 96800.00 106000.00 132000.00 128000.00 177000.00 112000.00 142000.00 158000.00 108000.00 88000.00 98600.00 118000.00 108000.00 84500.00 108000.00 125000.00 121000.00 74300.00 114000.00 121000.00 106000.00 150000.00 197000.00 116000.00 75900.00 90900.00 68700.00 109000.00 187000.00 100000.00 156000.00 97600.00 122000.00 96500.00 166000.00 179000.00 89900.00 Glucose 6360000.00 8070000.00 5680000.00 7050000.00 6580000.00 6180000.00 4950000.00 4770000.00 5920000.00 6410000.00 6340000.00 5940000.00 5260000.00 6140000.00 5800000.00 6590000.00 5680000.00 6100000.00 7400000.00 7690000.00 5770000.00 5760000.00 5620000.00 6500000.00 5690000.00 6450000.00 5340000.00 5850000.00 5630000.00 5720000.00 5480000.00 5140000.00 5900000.00 5510000.00 5700000.00 4430000.00 4430000.00 5370000.00 Hippuric acid 24800000.00 43500000.00 75500000.00 20600000.00 38700000.00 4240000.00 34700000.00 9140000.00 12500000.00 30900000.00 81000000.00 5390000.00 5150000.00 54200000.00 40000000.00 58500000.00 111000000.00 29600000.00 20600000.00 55600000.00 35000000.00 35100000.00 17200000.00 116000000.00 4800000.00 12400000.00 84100000.00 132000000.00 57500000.00 70700000.00 3270000.00 102000000.00 16300000.00 29400000.00 42800000.00 44000000.00 1360000.00 19300000.00 Homovanillic acid 1660000.00 1580000.00 1820000.00 1760000.00 1650000.00 1690000.00 1500000.00 1600000.00 1610000.00 1530000.00 1330000.00 1540000.00 1750000.00 1680000.00 1380000.00 1260000.00 1360000.00 1490000.00 1800000.00 1450000.00 1680000.00 1660000.00 1690000.00 1510000.00 1640000.00 1540000.00 1570000.00 1320000.00 1390000.00 1460000.00 1460000.00 1460000.00 1370000.00 1550000.00 1430000.00 1370000.00 1490000.00 1920000.00 Hydroxyisocaproic acid 742000.00 809000.00 438000.00 611000.00 987000.00 945000.00 625000.00 680000.00 1050000.00 913000.00 584000.00 1040000.00 868000.00 622000.00 480000.00 1110000.00 1110000.00 1130000.00 687000.00 475000.00 683000.00 1490000.00 769000.00 457000.00 722000.00 721000.00 586000.00 453000.00 447000.00 688000.00 487000.00 614000.00 647000.00 596000.00 908000.00 1050000.00 304000.00 398000.00 Hypoxanthine 7360000.00 2390000.00 1790000.00 3400000.00 1530000.00 1300000.00 3190000.00 2970000.00 2570000.00 2010000.00 1830000.00 4080000.00 12900000.00 1810000.00 2230000.00 1880000.00 2070000.00 2100000.00 1980000.00 2080000.00 2820000.00 3220000.00 2880000.00 2240000.00 3190000.00 1240000.00 3540000.00 2670000.00 3340000.00 4610000.00 4160000.00 2240000.00 1900000.00 2870000.00 2970000.00 1110000.00 1610000.00 2280000.00 Indoxyl sulfate 307000000.00 172000000.00 315000000.00 138000000.00 112000000.00 21100000.00 299000000.00 321000000.00 218000000.00 291000000.00 238000000.00 244000000.00 317000000.00 66200000.00 119000000.00 190000000.00 198000000.00 142000000.00 430000000.00 30600000.00 259000000.00 158000000.00 97000000.00 471000000.00 39600000.00 265000000.00 355000000.00 276000000.00 366000000.00 63700000.00 132000000.00 104000000.00 116000000.00 127000000.00 118000000.00 90400000.00 30500000.00 384000000.00 Inosine 10900000.00 4450000.00 2810000.00 3150000.00 2020000.00 2810000.00 4120000.00 5100000.00 5060000.00 2800000.00 3190000.00 3560000.00 9440000.00 3590000.00 2970000.00 3100000.00 16300000.00 3440000.00 4310000.00 3990000.00 3760000.00 6330000.00 8200000.00 4360000.00 3920000.00 1380000.00 5970000.00 4900000.00 5460000.00 7200000.00 5640000.00 3830000.00 2530000.00 5660000.00 4580000.00 1710000.00 16100000.00 4270000.00 Isocitric acid 4570000.00 5250000.00 5130000.00 5730000.00 2890000.00 3180000.00 1740000.00 2390000.00 2570000.00 2240000.00 3880000.00 4150000.00 6930000.00 5390000.00 3170000.00 7600000.00 3800000.00 3170000.00 6340000.00 2300000.00 3030000.00 3320000.00 7170000.00 2320000.00 4230000.00 2900000.00 8420000.00 3160000.00 1620000.00 3440000.00 3410000.00 3580000.00 2430000.00 2210000.00 6070000.00 3380000.00 3290000.00 3580000.00 Isovalerylglycine 562000.00 148000.00 413000.00 188000.00 400000.00 421000.00 482000.00 152000.00 1060000.00 414000.00 464000.00 315000.00 265000.00 380000.00 299000.00 522000.00 693000.00 113000.00 700000.00 286000.00 1040000.00 399000.00 219000.00 1550000.00 58900.00 159000.00 171000.00 395000.00 991000.00 139000.00 239000.00 146000.00 359000.00 613000.00 167000.00 165000.00 67100.00 568000.00 Itaconic acid 807000.00 1390000.00 528000.00 1380000.00 744000.00 724000.00 511000.00 1110000.00 498000.00 2550000.00 978000.00 730000.00 520000.00 513000.00 907000.00 630000.00 1340000.00 1020000.00 567000.00 540000.00 2400000.00 663000.00 554000.00 1290000.00 584000.00 735000.00 751000.00 772000.00 1160000.00 898000.00 450000.00 775000.00 466000.00 559000.00 2220000.00 494000.00 683000.00 560000.00 Ketoleucine 1860000.00 3170000.00 1320000.00 1890000.00 2130000.00 1420000.00 1240000.00 1880000.00 1520000.00 3780000.00 2430000.00 1520000.00 1400000.00 1240000.00 1760000.00 1340000.00 2840000.00 2560000.00 1190000.00 986000.00 6000000.00 1500000.00 1540000.00 2730000.00 1390000.00 1240000.00 1470000.00 1810000.00 2160000.00 1660000.00 1510000.00 1510000.00 1130000.00 1370000.00 4040000.00 1310000.00 1400000.00 1500000.00 Kynurenic acid 377000.00 508000.00 501000.00 414000.00 300000.00 387000.00 719000.00 527000.00 475000.00 817000.00 1890000.00 329000.00 215000.00 1060000.00 762000.00 753000.00 464000.00 355000.00 735000.00 568000.00 402000.00 482000.00 736000.00 482000.00 390000.00 2480000.00 581000.00 975000.00 1060000.00 620000.00 131000.00 423000.00 281000.00 1810000.00 941000.00 203000.00 469000.00 440000.00 L-Aspartic acid 949000.00 292000.00 350000.00 484000.00 654000.00 373000.00 500000.00 637000.00 737000.00 560000.00 476000.00 560000.00 522000.00 556000.00 457000.00 472000.00 663000.00 702000.00 703000.00 413000.00 676000.00 690000.00 539000.00 441000.00 582000.00 594000.00 561000.00 1100000.00 620000.00 503000.00 496000.00 537000.00 277000.00 1450000.00 340000.00 531000.00 357000.00 486000.00 L-Cystine 7810000.00 9990000.00 8690000.00 8190000.00 7480000.00 6770000.00 6530000.00 6600000.00 5620000.00 6610000.00 6970000.00 7350000.00 9840000.00 10100000.00 6780000.00 7850000.00 7690000.00 8760000.00 8780000.00 6310000.00 8670000.00 9450000.00 10800000.00 7890000.00 4820000.00 4680000.00 5480000.00 7010000.00 9030000.00 6230000.00 4480000.00 5900000.00 5210000.00 7830000.00 6140000.00 7540000.00 6720000.00 7740000.00 Linoleic acid 294000.00 255000.00 780000.00 611000.00 739000.00 198000.00 390000.00 464000.00 170000.00 174000.00 376000.00 783000.00 434000.00 605000.00 415000.00 446000.00 407000.00 582000.00 116000.00 158000.00 366000.00 421000.00 397000.00 605000.00 626000.00 618000.00 399000.00 274000.00 228000.00 482000.00 567000.00 386000.00 164000.00 496000.00 639000.00 470000.00 782000.00 849000.00 Lipoic acid 116000.00 150000.00 115000.00 174000.00 140000.00 126000.00 132000.00 138000.00 178000.00 149000.00 105000.00 140000.00 108000.00 129000.00 133000.00 95800.00 115000.00 74300.00 120000.00 140000.00 131000.00 144000.00 124000.00 32700.00 52900.00 51100.00 57700.00 141000.00 130000.00 44000.00 1410000.00 55300.00 70000.00 157000.00 78400.00 126000.00 55100.00 85300.00 L-Lactic acid 294000000.00 326000000.00 153000000.00 364000000.00 196000000.00 291000000.00 309000000.00 166000000.00 230000000.00 537000000.00 243000000.00 458000000.00 498000000.00 455000000.00 261000000.00 222000000.00 229000000.00 320000000.00 719000000.00 293000000.00 232000000.00 265000000.00 313000000.00 148000000.00 218000000.00 469000000.00 246000000.00 205000000.00 153000000.00 235000000.00 180000000.00 110000000.00 167000000.00 229000000.00 223000000.00 199000000.00 190000000.00 264000000.00 L-Threonine 19100000.00 23200000.00 23900000.00 25700000.00 28100000.00 32900000.00 22400000.00 19100000.00 28900000.00 25100000.00 27700000.00 18900000.00 23200000.00 17700000.00 19300000.00 29700000.00 18800000.00 22000000.00 19700000.00 19900000.00 26300000.00 24400000.00 40500000.00 22200000.00 28700000.00 36300000.00 26500000.00 24900000.00 23600000.00 19100000.00 22000000.00 26300000.00 28900000.00 34700000.00 25100000.00 36700000.00 23600000.00 23200000.00 Malic acid 4550000.00 4400000.00 4020000.00 4680000.00 4140000.00 3450000.00 3780000.00 3440000.00 2950000.00 3490000.00 3250000.00 4800000.00 5550000.00 3480000.00 3790000.00 4680000.00 4140000.00 3080000.00 5460000.00 3480000.00 4420000.00 3760000.00 4660000.00 4040000.00 4400000.00 3110000.00 4980000.00 4180000.00 2860000.00 3640000.00 3620000.00 2920000.00 3020000.00 2790000.00 3520000.00 2940000.00 2660000.00 3790000.00 Malonic acid 1590000.00 1680000.00 1220000.00 1600000.00 1890000.00 1400000.00 1490000.00 2090000.00 2150000.00 1350000.00 1840000.00 1330000.00 2080000.00 1440000.00 1130000.00 1380000.00 1260000.00 1640000.00 2430000.00 2370000.00 1660000.00 1410000.00 2150000.00 1750000.00 1600000.00 1180000.00 1990000.00 1730000.00 1410000.00 1080000.00 1550000.00 1790000.00 1290000.00 1640000.00 2330000.00 1600000.00 1700000.00 1620000.00 Methylmalonic acid 767000.00 959000.00 722000.00 533000.00 847000.00 597000.00 781000.00 833000.00 856000.00 651000.00 479000.00 805000.00 754000.00 515000.00 888000.00 558000.00 673000.00 623000.00 663000.00 499000.00 629000.00 712000.00 510000.00 759000.00 1240000.00 576000.00 679000.00 539000.00 523000.00 727000.00 770000.00 445000.00 646000.00 614000.00 577000.00 659000.00 774000.00 590000.00 Methylsuccinic Acid 435000.00 512000.00 601000.00 456000.00 543000.00 502000.00 441000.00 411000.00 515000.00 420000.00 426000.00 405000.00 401000.00 370000.00 507000.00 367000.00 466000.00 380000.00 416000.00 432000.00 539000.00 390000.00 502000.00 447000.00 517000.00 589000.00 417000.00 455000.00 484000.00 392000.00 439000.00 432000.00 335000.00 364000.00 410000.00 479000.00 392000.00 527000.00 Myoinositol 22800000.00 49000000.00 10300000.00 37900000.00 12400000.00 7940000.00 7240000.00 20300000.00 7410000.00 38900000.00 20900000.00 8480000.00 9800000.00 8180000.00 34800000.00 13500000.00 32100000.00 13000000.00 9920000.00 8000000.00 48400000.00 21100000.00 7620000.00 49400000.00 7460000.00 12600000.00 12200000.00 21300000.00 23800000.00 14100000.00 9050000.00 16400000.00 6740000.00 5410000.00 30900000.00 5370000.00 7000000.00 12100000.00 N-Acetylglutamic acid 216000.00 97900.00 187000.00 184000.00 196000.00 79700.00 105000.00 102000.00 145000.00 153000.00 178000.00 141000.00 195000.00 243000.00 189000.00 802000.00 467000.00 262000.00 287000.00 161000.00 250000.00 241000.00 299000.00 342000.00 223000.00 256000.00 265000.00 274000.00 162000.00 541000.00 177000.00 299000.00 161000.00 156000.00 130000.00 218000.00 218000.00 207000.00 N-Acetyl-L-aspartic acid 1590000.00 1100000.00 1210000.00 1620000.00 1000000.00 1420000.00 1200000.00 897000.00 930000.00 949000.00 1260000.00 1150000.00 1310000.00 1070000.00 1380000.00 1470000.00 950000.00 789000.00 1180000.00 935000.00 1160000.00 993000.00 1260000.00 1330000.00 1220000.00 840000.00 1120000.00 1560000.00 1130000.00 934000.00 1430000.00 1010000.00 1130000.00 1090000.00 1220000.00 903000.00 896000.00 1110000.00 N-acetylserine 704000.00 568000.00 611000.00 682000.00 733000.00 704000.00 704000.00 862000.00 653000.00 497000.00 591000.00 633000.00 706000.00 475000.00 427000.00 652000.00 540000.00 468000.00 545000.00 581000.00 593000.00 704000.00 803000.00 588000.00 701000.00 507000.00 589000.00 648000.00 420000.00 868000.00 682000.00 403000.00 548000.00 512000.00 391000.00 518000.00 544000.00 600000.00 Octulose-monophosphate 1080000.00 854000.00 1100000.00 979000.00 999000.00 843000.00 902000.00 931000.00 928000.00 845000.00 787000.00 846000.00 807000.00 819000.00 763000.00 784000.00 810000.00 807000.00 940000.00 864000.00 887000.00 861000.00 928000.00 912000.00 839000.00 809000.00 786000.00 682000.00 768000.00 863000.00 848000.00 786000.00 860000.00 949000.00 821000.00 840000.00 893000.00 824000.00 Oleic acid 250000.00 375000.00 1440000.00 619000.00 1180000.00 251000.00 604000.00 686000.00 304000.00 235000.00 653000.00 1120000.00 735000.00 728000.00 494000.00 989000.00 576000.00 449000.00 185000.00 359000.00 299000.00 679000.00 595000.00 633000.00 1480000.00 1010000.00 1530000.00 400000.00 349000.00 500000.00 972000.00 907000.00 525000.00 619000.00 791000.00 838000.00 946000.00 1190000.00 Orotic acid 1230000.00 1100000.00 752000.00 733000.00 1310000.00 740000.00 1170000.00 732000.00 866000.00 1820000.00 686000.00 720000.00 1080000.00 853000.00 670000.00 1000000.00 8740000.00 835000.00 907000.00 860000.00 906000.00 1110000.00 731000.00 1280000.00 1220000.00 725000.00 578000.00 1050000.00 946000.00 1190000.00 1180000.00 806000.00 680000.00 950000.00 864000.00 956000.00 8500000.00 976000.00 Oxaloacetic acid 180000.00 639000.00 243000.00 200000.00 148000.00 157000.00 235000.00 1320000.00 198000.00 215000.00 183000.00 433000.00 257000.00 145000.00 119000.00 271000.00 448000.00 258000.00 106000.00 353000.00 361000.00 203000.00 93000.00 358000.00 252000.00 207000.00 147000.00 141000.00 238000.00 173000.00 331000.00 137000.00 321000.00 190000.00 178000.00 485000.00 252000.00 637000.00 PA(16:0/16:0) 1320000.00 1670000.00 1240000.00 1030000.00 2100000.00 1200000.00 628000.00 2280000.00 1710000.00 1470000.00 1400000.00 1640000.00 1450000.00 936000.00 1270000.00 1030000.00 929000.00 1180000.00 1050000.00 1120000.00 1230000.00 1730000.00 951000.00 1650000.00 498000.00 634000.00 792000.00 1260000.00 986000.00 1170000.00 1070000.00 782000.00 875000.00 765000.00 799000.00 747000.00 752000.00 1540000.00 PA(16:0/16:1) 605000.00 380000.00 496000.00 280000.00 514000.00 275000.00 320000.00 900000.00 200000.00 657000.00 544000.00 458000.00 303000.00 467000.00 518000.00 417000.00 290000.00 473000.00 807000.00 440000.00 476000.00 907000.00 459000.00 383000.00 319000.00 178000.00 115000.00 404000.00 674000.00 570000.00 436000.00 297000.00 798000.00 209000.00 337000.00 245000.00 72100.00 653000.00 PA(16:1/16:1) 67400.00 61600.00 78600.00 67600.00 92300.00 15400.00 75800.00 149000.00 54400.00 77800.00 45900.00 58800.00 73100.00 80800.00 62900.00 47500.00 37900.00 88400.00 113000.00 45800.00 55700.00 144000.00 56400.00 84700.00 89100.00 66300.00 12800.00 69800.00 128000.00 68300.00 67200.00 45300.00 121000.00 30300.00 29700.00 85400.00 47800.00 94500.00 PA(16:1/18:1) 506000.00 432000.00 563000.00 420000.00 468000.00 529000.00 557000.00 1020000.00 323000.00 611000.00 678000.00 543000.00 494000.00 462000.00 434000.00 427000.00 230000.00 415000.00 1020000.00 496000.00 504000.00 735000.00 725000.00 387000.00 356000.00 396000.00 520000.00 530000.00 604000.00 493000.00 598000.00 396000.00 854000.00 356000.00 378000.00 547000.00 218000.00 604000.00 PA(18:0/16:1) 171000.00 160000.00 99700.00 94000.00 136000.00 49300.00 139000.00 250000.00 55700.00 156000.00 58900.00 102000.00 125000.00 102000.00 117000.00 87300.00 78200.00 126000.00 195000.00 90300.00 92100.00 183000.00 107000.00 120000.00 70800.00 72600.00 103000.00 154000.00 247000.00 142000.00 146000.00 57700.00 168000.00 57800.00 91900.00 163000.00 90300.00 132000.00 PA(18:0/18:1) 2000000.00 1470000.00 2100000.00 1170000.00 1750000.00 1710000.00 1110000.00 1700000.00 904000.00 1440000.00 1510000.00 774000.00 2190000.00 1810000.00 1760000.00 2030000.00 1390000.00 1440000.00 2050000.00 1070000.00 1450000.00 2170000.00 1840000.00 1330000.00 1670000.00 844000.00 2350000.00 1620000.00 1770000.00 1290000.00 2170000.00 1810000.00 2050000.00 1660000.00 1800000.00 1720000.00 1550000.00 1660000.00 PA(18:1/18:1) 33600000.00 23300000.00 42400000.00 19500000.00 27000000.00 24000000.00 23600000.00 36100000.00 18500000.00 35400000.00 35700000.00 25100000.00 25400000.00 29700000.00 36700000.00 33600000.00 25600000.00 22400000.00 36900000.00 23700000.00 23200000.00 42600000.00 35100000.00 30700000.00 28900000.00 17400000.00 44200000.00 28600000.00 33700000.00 33100000.00 39500000.00 33600000.00 31000000.00 23400000.00 25900000.00 29100000.00 32300000.00 31900000.00 p-Aminobenzoic acid 219000.00 194000.00 338000.00 86000.00 208000.00 134000.00 169000.00 268000.00 183000.00 262000.00 221000.00 110000.00 190000.00 198000.00 160000.00 245000.00 391000.00 204000.00 368000.00 166000.00 207000.00 227000.00 204000.00 459000.00 104000.00 194000.00 295000.00 165000.00 158000.00 151000.00 209000.00 126000.00 237000.00 340000.00 175000.00 235000.00 92800.00 430000.00 Pantothenic acid 3970000.00 851000.00 8050000.00 930000.00 943000.00 1220000.00 653000.00 768000.00 2030000.00 960000.00 4400000.00 891000.00 881000.00 2290000.00 797000.00 4160000.00 2050000.00 1740000.00 1800000.00 1540000.00 3110000.00 1090000.00 924000.00 4530000.00 723000.00 1580000.00 17600000.00 878000.00 607000.00 1900000.00 4440000.00 1540000.00 8770000.00 1090000.00 711000.00 882000.00 3290000.00 4060000.00 PE (18:0/18:0) 112000.00 123000.00 330000.00 131000.00 118000.00 86200.00 123000.00 139000.00 181000.00 82500.00 58500.00 147000.00 139000.00 116000.00 168000.00 93700.00 177000.00 178000.00 129000.00 251000.00 267000.00 64000.00 153000.00 224000.00 105000.00 391000.00 144000.00 74700.00 198000.00 166000.00 256000.00 108000.00 67100.00 288000.00 80300.00 131000.00 250000.00 169000.00 PE(20:4/18:1) 1250000.00 623000.00 886000.00 299000.00 1160000.00 451000.00 724000.00 785000.00 341000.00 583000.00 1670000.00 992000.00 1010000.00 529000.00 800000.00 885000.00 1270000.00 552000.00 529000.00 406000.00 627000.00 1080000.00 682000.00 601000.00 791000.00 733000.00 550000.00 744000.00 415000.00 1240000.00 1060000.00 972000.00 375000.00 693000.00 1500000.00 1010000.00 281000.00 650000.00 PE(34:1) 869000.00 459000.00 545000.00 134000.00 594000.00 608000.00 278000.00 428000.00 211000.00 523000.00 786000.00 672000.00 568000.00 454000.00 494000.00 741000.00 1120000.00 545000.00 390000.00 348000.00 476000.00 706000.00 346000.00 497000.00 513000.00 709000.00 456000.00 402000.00 384000.00 770000.00 640000.00 581000.00 326000.00 323000.00 487000.00 731000.00 422000.00 690000.00 PE(34:2) 179000.00 105000.00 146000.00 96800.00 157000.00 125000.00 93400.00 166000.00 111000.00 91800.00 93500.00 143000.00 187000.00 82100.00 141000.00 210000.00 197000.00 167000.00 68500.00 108000.00 104000.00 195000.00 160000.00 89000.00 113000.00 162000.00 183000.00 179000.00 185000.00 164000.00 164000.00 149000.00 133000.00 71800.00 118000.00 118000.00 123000.00 164000.00 PE(36:1) 2670000.00 1240000.00 2450000.00 744000.00 1690000.00 3230000.00 1010000.00 1180000.00 920000.00 1620000.00 3750000.00 2020000.00 1440000.00 1620000.00 848000.00 2530000.00 4630000.00 1680000.00 1740000.00 1750000.00 1710000.00 2310000.00 945000.00 1590000.00 1980000.00 2690000.00 3550000.00 1430000.00 857000.00 2280000.00 1710000.00 2280000.00 852000.00 808000.00 1250000.00 1870000.00 1700000.00 1840000.00 PE(36:2) 4750000.00 2280000.00 5680000.00 896000.00 4050000.00 4710000.00 1630000.00 1720000.00 1710000.00 1760000.00 8270000.00 1700000.00 1650000.00 3640000.00 3060000.00 4750000.00 11300000.00 3760000.00 2470000.00 4700000.00 2950000.00 5720000.00 2040000.00 3950000.00 10800000.00 8610000.00 10300000.00 2760000.00 1530000.00 3540000.00 3970000.00 7610000.00 1430000.00 1780000.00 2350000.00 6370000.00 5290000.00 3100000.00 PE(36:3) 3080000.00 1070000.00 2400000.00 495000.00 3160000.00 2140000.00 827000.00 937000.00 760000.00 1200000.00 3710000.00 1350000.00 812000.00 2530000.00 1510000.00 1850000.00 4460000.00 1860000.00 1760000.00 1710000.00 2240000.00 2780000.00 1020000.00 3460000.00 4440000.00 3660000.00 2440000.00 2130000.00 789000.00 3140000.00 2250000.00 2900000.00 736000.00 910000.00 2000000.00 1970000.00 2750000.00 2060000.00 PE(36:4) 3100000.00 1460000.00 1700000.00 711000.00 3370000.00 1040000.00 1060000.00 1950000.00 512000.00 1940000.00 1490000.00 2690000.00 1940000.00 1430000.00 2070000.00 1620000.00 2560000.00 1040000.00 1410000.00 443000.00 1360000.00 2640000.00 954000.00 1500000.00 1170000.00 1210000.00 804000.00 1430000.00 1400000.00 3270000.00 2040000.00 848000.00 1150000.00 1680000.00 2570000.00 1710000.00 758000.00 1640000.00 PG(34:1) 130000.00 44300.00 110000.00 39600.00 106000.00 79600.00 80800.00 33900.00 11300.00 88700.00 113000.00 101000.00 93400.00 67400.00 100000.00 47700.00 88300.00 54900.00 69400.00 36900.00 116000.00 81100.00 57900.00 138000.00 56700.00 81000.00 107000.00 63300.00 22100.00 98800.00 113000.00 41600.00 36000.00 77900.00 59400.00 75100.00 50300.00 87200.00 Phenylacetylglutamine 72500000.00 22900000.00 67800000.00 12000000.00 6370000.00 5320000.00 29900000.00 29700000.00 33500000.00 48400000.00 45800000.00 35000000.00 89300000.00 33200000.00 17400000.00 60100000.00 75500000.00 39500000.00 141000000.00 40400000.00 47400000.00 64300000.00 17900000.00 108000000.00 9850000.00 28600000.00 50100000.00 73900000.00 69000000.00 12600000.00 49900000.00 20800000.00 51100000.00 48600000.00 26000000.00 33200000.00 4880000.00 106000000.00 Phenyllactic acid 1720000.00 2180000.00 1190000.00 2070000.00 2830000.00 2710000.00 1550000.00 2050000.00 2590000.00 2690000.00 1510000.00 2050000.00 4740000.00 3640000.00 1730000.00 3470000.00 4510000.00 6920000.00 2200000.00 1470000.00 1990000.00 9280000.00 1960000.00 1530000.00 1620000.00 1950000.00 1270000.00 1370000.00 1870000.00 3260000.00 1910000.00 8800000.00 3430000.00 1350000.00 1810000.00 2250000.00 1230000.00 1580000.00 p-Hydroxyphenylacetic acid 1400000.00 1270000.00 1180000.00 1300000.00 268000.00 1220000.00 1260000.00 1300000.00 1520000.00 1170000.00 1100000.00 1190000.00 1390000.00 1130000.00 1030000.00 1040000.00 1590000.00 1190000.00 1330000.00 1360000.00 1400000.00 1220000.00 1290000.00 1360000.00 1020000.00 1030000.00 1180000.00 1100000.00 982000.00 938000.00 955000.00 949000.00 1180000.00 1140000.00 1360000.00 1040000.00 1360000.00 1150000.00 PI(16:0/16:0) 1150000.00 181000.00 385000.00 236000.00 772000.00 540000.00 187000.00 943000.00 207000.00 796000.00 205000.00 994000.00 677000.00 427000.00 1100000.00 352000.00 386000.00 489000.00 450000.00 222000.00 368000.00 560000.00 280000.00 318000.00 194000.00 201000.00 115000.00 354000.00 3150000.00 904000.00 361000.00 141000.00 634000.00 257000.00 132000.00 414000.00 192000.00 443000.00 PI(32:2) 117000.00 21300.00 51900.00 8010.00 99800.00 58100.00 63600.00 100000.00 19300.00 112000.00 11700.00 69200.00 87500.00 33300.00 100000.00 45300.00 47400.00 47200.00 78300.00 72600.00 26600.00 81200.00 45000.00 43000.00 35800.00 33000.00 13800.00 21000.00 420000.00 111000.00 34800.00 25900.00 127000.00 30600.00 50000.00 51000.00 12700.00 40400.00 PI(34:0) 1400000.00 524000.00 938000.00 484000.00 1260000.00 1480000.00 582000.00 1380000.00 524000.00 1000000.00 1320000.00 910000.00 1260000.00 789000.00 1390000.00 1000000.00 1160000.00 841000.00 772000.00 1090000.00 704000.00 850000.00 654000.00 798000.00 636000.00 640000.00 795000.00 512000.00 1800000.00 1130000.00 875000.00 1070000.00 994000.00 595000.00 457000.00 788000.00 788000.00 829000.00 PI(34:1) 20800000.00 8500000.00 15400000.00 6670000.00 17300000.00 24000000.00 9200000.00 20400000.00 8860000.00 13600000.00 21700000.00 13900000.00 19900000.00 13000000.00 22300000.00 15200000.00 18600000.00 13200000.00 11100000.00 18000000.00 12500000.00 15900000.00 10200000.00 12400000.00 10700000.00 10200000.00 12000000.00 8720000.00 27100000.00 17000000.00 14700000.00 15400000.00 17400000.00 8690000.00 7430000.00 12200000.00 14400000.00 12700000.00 PI(34:2) 1480000.00 627000.00 1080000.00 498000.00 1330000.00 941000.00 1290000.00 1530000.00 552000.00 1100000.00 1110000.00 825000.00 1360000.00 562000.00 1810000.00 1190000.00 1250000.00 875000.00 1220000.00 2150000.00 636000.00 1230000.00 965000.00 721000.00 1260000.00 1070000.00 762000.00 503000.00 3000000.00 1140000.00 1030000.00 1040000.00 1090000.00 834000.00 721000.00 1630000.00 987000.00 964000.00 PI(36:0) 817000.00 419000.00 1060000.00 448000.00 796000.00 1410000.00 649000.00 971000.00 733000.00 561000.00 1590000.00 594000.00 846000.00 671000.00 868000.00 732000.00 1070000.00 491000.00 642000.00 1810000.00 531000.00 692000.00 546000.00 846000.00 731000.00 828000.00 953000.00 486000.00 893000.00 698000.00 738000.00 1290000.00 760000.00 581000.00 318000.00 754000.00 888000.00 673000.00 PI(36:1) 9640000.00 4950000.00 11100000.00 4880000.00 7450000.00 14800000.00 6950000.00 11300000.00 7240000.00 6050000.00 18600000.00 7100000.00 9380000.00 7100000.00 10300000.00 8670000.00 11500000.00 5540000.00 6790000.00 20100000.00 5680000.00 8150000.00 7420000.00 9390000.00 9950000.00 9160000.00 12800000.00 5170000.00 9910000.00 8500000.00 8620000.00 15400000.00 7340000.00 6730000.00 3970000.00 8260000.00 11900000.00 7060000.00 PI(36:2) 16800000.00 11800000.00 26700000.00 9900000.00 20300000.00 28100000.00 15500000.00 23700000.00 15600000.00 11200000.00 55900000.00 10700000.00 17200000.00 11800000.00 34700000.00 30200000.00 29800000.00 15100000.00 11200000.00 63600000.00 14100000.00 20600000.00 23700000.00 24400000.00 51200000.00 31300000.00 44800000.00 10000000.00 23400000.00 14700000.00 26600000.00 51200000.00 16800000.00 16700000.00 10500000.00 26400000.00 42800000.00 16100000.00 PI(36:4) 26300000.00 14500000.00 16800000.00 13500000.00 38900000.00 27400000.00 10800000.00 29000000.00 13100000.00 32500000.00 16700000.00 31300000.00 20600000.00 21100000.00 43100000.00 20400000.00 19200000.00 18600000.00 17700000.00 10700000.00 17700000.00 24000000.00 14800000.00 16700000.00 14500000.00 14000000.00 8320000.00 14600000.00 24500000.00 29700000.00 24000000.00 15900000.00 24200000.00 21700000.00 15800000.00 21000000.00 13900000.00 18000000.00 PI(38:3) 36500000.00 30900000.00 23200000.00 23500000.00 37200000.00 45800000.00 21000000.00 26600000.00 23500000.00 39200000.00 46900000.00 49300000.00 33900000.00 32700000.00 39700000.00 38000000.00 30200000.00 28700000.00 22300000.00 27600000.00 25800000.00 45100000.00 25600000.00 21400000.00 31200000.00 26700000.00 29000000.00 29300000.00 27800000.00 31800000.00 28200000.00 33300000.00 28400000.00 29400000.00 30500000.00 29100000.00 26000000.00 27200000.00 PI(38:4) 148000000.00 135000000.00 132000000.00 120000000.00 156000000.00 156000000.00 118000000.00 140000000.00 122000000.00 157000000.00 152000000.00 165000000.00 152000000.00 136000000.00 168000000.00 143000000.00 140000000.00 121000000.00 112000000.00 116000000.00 121000000.00 146000000.00 128000000.00 117000000.00 127000000.00 134000000.00 114000000.00 129000000.00 104000000.00 151000000.00 133000000.00 139000000.00 104000000.00 135000000.00 134000000.00 126000000.00 124000000.00 120000000.00 PI(38:5) 13100000.00 7160000.00 8040000.00 6940000.00 15400000.00 13500000.00 8880000.00 13200000.00 8920000.00 11900000.00 20100000.00 12300000.00 11600000.00 7870000.00 20900000.00 16300000.00 13000000.00 8750000.00 7950000.00 13900000.00 9110000.00 12700000.00 10900000.00 8050000.00 15500000.00 11800000.00 11600000.00 8570000.00 7890000.00 12000000.00 11600000.00 14300000.00 6590000.00 11900000.00 12000000.00 12900000.00 8890000.00 9690000.00 PI(40:5) 3750000.00 2170000.00 5840000.00 2140000.00 2930000.00 3220000.00 1790000.00 2360000.00 2080000.00 3140000.00 3470000.00 4080000.00 4160000.00 3790000.00 4110000.00 2240000.00 3060000.00 2540000.00 2410000.00 3710000.00 2660000.00 4560000.00 1870000.00 3490000.00 1770000.00 2520000.00 1850000.00 2190000.00 6840000.00 4150000.00 2890000.00 1720000.00 3650000.00 3440000.00 1680000.00 3100000.00 3480000.00 3460000.00 Plasmalogen(20:4/p18:0) 6920000.00 3900000.00 5080000.00 6310000.00 16900000.00 6460000.00 7560000.00 10800000.00 9860000.00 6430000.00 3620000.00 7290000.00 9480000.00 5100000.00 7550000.00 8360000.00 9210000.00 4010000.00 3260000.00 4270000.00 7510000.00 5490000.00 12100000.00 5960000.00 6220000.00 7390000.00 6430000.00 8080000.00 9040000.00 8350000.00 10500000.00 9200000.00 5320000.00 13200000.00 4940000.00 6920000.00 5340000.00 5230000.00 Plasmalogen(22:6/p16:0) 499000.00 467000.00 1200000.00 721000.00 944000.00 528000.00 583000.00 551000.00 1030000.00 608000.00 423000.00 967000.00 1020000.00 472000.00 639000.00 716000.00 879000.00 943000.00 433000.00 788000.00 1370000.00 433000.00 845000.00 953000.00 772000.00 1440000.00 867000.00 435000.00 742000.00 898000.00 942000.00 571000.00 370000.00 1140000.00 382000.00 669000.00 1420000.00 826000.00 Plasmalogen(p16:0/20:4) 6140000.00 3760000.00 3260000.00 4940000.00 12600000.00 3460000.00 5450000.00 7090000.00 9970000.00 6570000.00 2290000.00 5590000.00 6570000.00 4550000.00 6170000.00 5670000.00 5500000.00 4430000.00 3250000.00 3690000.00 5850000.00 4640000.00 10400000.00 5320000.00 4330000.00 10200000.00 4140000.00 3570000.00 6830000.00 5960000.00 11600000.00 9800000.00 3270000.00 9850000.00 2550000.00 8960000.00 4040000.00 3260000.00 Plasmalogen(p18:0/22:6) 415000.00 348000.00 1190000.00 458000.00 918000.00 469000.00 532000.00 486000.00 822000.00 424000.00 298000.00 663000.00 647000.00 312000.00 576000.00 620000.00 846000.00 585000.00 414000.00 736000.00 1310000.00 258000.00 785000.00 845000.00 520000.00 1040000.00 848000.00 454000.00 693000.00 588000.00 803000.00 524000.00 336000.00 1390000.00 278000.00 557000.00 1280000.00 682000.00 PS(18:0/18:1) 11300000.00 907000.00 2920000.00 792000.00 553000.00 1200000.00 1850000.00 8530000.00 4090000.00 451000.00 3940000.00 1680000.00 3590000.00 1290000.00 5500000.00 2220000.00 2990000.00 1340000.00 1270000.00 2560000.00 2980000.00 4330000.00 357000.00 1890000.00 1980000.00 777000.00 3660000.00 3520000.00 3040000.00 4070000.00 4160000.00 2090000.00 1680000.00 3110000.00 630000.00 449000.00 987000.00 2220000.00 PS(18:0/20:4) 4280000.00 178000.00 556000.00 249000.00 168000.00 311000.00 626000.00 3160000.00 1080000.00 171000.00 535000.00 497000.00 1330000.00 446000.00 2560000.00 1020000.00 1260000.00 506000.00 535000.00 399000.00 591000.00 1130000.00 101000.00 709000.00 658000.00 123000.00 774000.00 1070000.00 1140000.00 2010000.00 1620000.00 873000.00 775000.00 1470000.00 218000.00 119000.00 261000.00 520000.00 PS(36:0) 711000.00 69800.00 198000.00 67000.00 45500.00 69000.00 140000.00 554000.00 301000.00 33200.00 294000.00 112000.00 254000.00 84300.00 316000.00 140000.00 198000.00 86200.00 85600.00 163000.00 209000.00 293000.00 27600.00 119000.00 133000.00 58200.00 226000.00 222000.00 217000.00 276000.00 267000.00 159000.00 136000.00 240000.00 48600.00 26800.00 56800.00 163000.00 PS(36:2) 875000.00 151000.00 276000.00 136000.00 152000.00 215000.00 171000.00 647000.00 408000.00 94100.00 247000.00 207000.00 300000.00 228000.00 524000.00 284000.00 296000.00 149000.00 227000.00 257000.00 354000.00 357000.00 71900.00 346000.00 198000.00 228000.00 234000.00 445000.00 435000.00 456000.00 469000.00 224000.00 190000.00 305000.00 148000.00 82400.00 120000.00 253000.00 Pseudouridine 1850000.00 1340000.00 1650000.00 1540000.00 1730000.00 1620000.00 2030000.00 2040000.00 1820000.00 1630000.00 1630000.00 1850000.00 2350000.00 1330000.00 1550000.00 1560000.00 1370000.00 1780000.00 2020000.00 1640000.00 1970000.00 2520000.00 1630000.00 1450000.00 1920000.00 1490000.00 1630000.00 1990000.00 1470000.00 1400000.00 1710000.00 1300000.00 1470000.00 1500000.00 1380000.00 1140000.00 1860000.00 1530000.00 Pyroglutamic acid 104000.00 134000.00 103000.00 170000.00 141000.00 105000.00 105000.00 142000.00 132000.00 169000.00 104000.00 87700.00 107000.00 94400.00 82700.00 79000.00 188000.00 96400.00 103000.00 95600.00 104000.00 84000.00 143000.00 131000.00 131000.00 78900.00 96900.00 92400.00 54900.00 117000.00 123000.00 94000.00 73300.00 73000.00 84200.00 69200.00 98100.00 67700.00 Pyruvic acid 2800000.00 2170000.00 3380000.00 2450000.00 6360000.00 2960000.00 2580000.00 3110000.00 7040000.00 3630000.00 3920000.00 2950000.00 3610000.00 5970000.00 2380000.00 2870000.00 5350000.00 10900000.00 3190000.00 3390000.00 3400000.00 4370000.00 3420000.00 5030000.00 2550000.00 4770000.00 5220000.00 5540000.00 2700000.00 5530000.00 2810000.00 3140000.00 3780000.00 5090000.00 3450000.00 3950000.00 1720000.00 10100000.00 Quinolinic Acid 1340000.00 1130000.00 1250000.00 1300000.00 1790000.00 1910000.00 1780000.00 902000.00 1270000.00 1320000.00 1550000.00 1590000.00 1170000.00 1400000.00 1180000.00 1080000.00 1550000.00 1260000.00 1560000.00 619000.00 1580000.00 1620000.00 1910000.00 1510000.00 1320000.00 1410000.00 1470000.00 1420000.00 1070000.00 990000.00 1230000.00 1320000.00 1550000.00 1250000.00 1630000.00 1180000.00 1210000.00 995000.00 D-Ribose 5-phosphate 1290000.00 1450000.00 1560000.00 1310000.00 1440000.00 1570000.00 1530000.00 1440000.00 1340000.00 1560000.00 1380000.00 1290000.00 1310000.00 1240000.00 1400000.00 1340000.00 1180000.00 1290000.00 1510000.00 1220000.00 1260000.00 1510000.00 1460000.00 1400000.00 1500000.00 1290000.00 1320000.00 1240000.00 1240000.00 1360000.00 1450000.00 1250000.00 1460000.00 1370000.00 1270000.00 1330000.00 1390000.00 1300000.00 S-Adenosylhomocysteine 130000.00 47300.00 36700.00 62000.00 56400.00 65300.00 92100.00 95400.00 61200.00 41200.00 42400.00 70100.00 54200.00 34000.00 63200.00 78300.00 60400.00 61100.00 74200.00 56200.00 85400.00 74800.00 81800.00 117000.00 41700.00 113000.00 58100.00 100000.00 72500.00 104000.00 61700.00 22200.00 38200.00 72500.00 72000.00 145000.00 67500.00 48900.00 Shikimate 3-phosphate 1870000.00 1580000.00 1820000.00 1730000.00 1690000.00 1610000.00 1830000.00 1790000.00 1700000.00 1660000.00 1520000.00 1560000.00 1560000.00 1670000.00 1520000.00 1500000.00 1460000.00 1500000.00 1930000.00 1680000.00 1620000.00 1510000.00 1770000.00 1630000.00 1730000.00 1560000.00 1680000.00 1520000.00 1600000.00 1480000.00 1540000.00 1550000.00 1590000.00 1750000.00 1590000.00 1470000.00 1610000.00 1850000.00 SM (d18:1/24:2) 904000.00 2940000.00 2340000.00 2590000.00 1660000.00 1700000.00 1880000.00 2060000.00 1970000.00 1730000.00 1870000.00 1340000.00 1740000.00 1610000.00 1480000.00 1070000.00 1150000.00 2120000.00 1470000.00 1630000.00 2010000.00 2220000.00 1290000.00 3050000.00 2270000.00 1010000.00 1590000.00 1850000.00 685000.00 1840000.00 1860000.00 1120000.00 1440000.00 1660000.00 1570000.00 2640000.00 1470000.00 2340000.00 SM(d18:1/16:0 OH) 1740000.00 2530000.00 2640000.00 2970000.00 3230000.00 2720000.00 1390000.00 2580000.00 2640000.00 2230000.00 2130000.00 2560000.00 2740000.00 1980000.00 2010000.00 2010000.00 1680000.00 2010000.00 2080000.00 2170000.00 2030000.00 1650000.00 1840000.00 2250000.00 1580000.00 1240000.00 2000000.00 1840000.00 1550000.00 1550000.00 1620000.00 1660000.00 1680000.00 1670000.00 1400000.00 1410000.00 1950000.00 2130000.00 SM(d18:1/16:0) 9700000.00 14400000.00 14700000.00 16200000.00 22400000.00 13800000.00 8130000.00 13800000.00 10600000.00 13200000.00 15100000.00 19900000.00 11600000.00 14600000.00 8580000.00 11300000.00 8840000.00 10600000.00 8060000.00 14800000.00 10700000.00 12800000.00 9020000.00 12800000.00 9180000.00 6280000.00 11400000.00 11800000.00 9250000.00 10300000.00 8280000.00 9010000.00 6070000.00 8630000.00 6540000.00 7520000.00 8760000.00 10700000.00 SM(d18:1/16:1 OH) 10800000.00 15800000.00 16500000.00 16600000.00 21800000.00 14200000.00 8130000.00 16600000.00 15800000.00 13300000.00 12900000.00 18500000.00 16100000.00 12300000.00 11100000.00 12200000.00 9330000.00 11400000.00 12200000.00 14100000.00 11500000.00 11700000.00 13000000.00 10600000.00 9690000.00 6980000.00 11700000.00 13400000.00 8800000.00 10200000.00 9680000.00 9360000.00 9400000.00 8880000.00 9430000.00 8880000.00 11100000.00 13200000.00 SM(d18:1/16:1) 602000.00 922000.00 951000.00 855000.00 817000.00 1080000.00 525000.00 501000.00 408000.00 570000.00 826000.00 1010000.00 1250000.00 826000.00 964000.00 767000.00 855000.00 940000.00 726000.00 1130000.00 768000.00 850000.00 1140000.00 718000.00 1130000.00 519000.00 1100000.00 918000.00 736000.00 909000.00 1010000.00 1020000.00 558000.00 507000.00 1280000.00 894000.00 1130000.00 1070000.00 SM(d18:1/16:2 OH) 2550000.00 3120000.00 2970000.00 3290000.00 3280000.00 4030000.00 2300000.00 2360000.00 2310000.00 2570000.00 2820000.00 3830000.00 3340000.00 2860000.00 2850000.00 2590000.00 2600000.00 3250000.00 2660000.00 4140000.00 2850000.00 2660000.00 3190000.00 3180000.00 2530000.00 2450000.00 3660000.00 2790000.00 2320000.00 2870000.00 3450000.00 3760000.00 2240000.00 1450000.00 3260000.00 2700000.00 3120000.00 3000000.00 SM(d18:1/16:2) 557000.00 547000.00 562000.00 1060000.00 860000.00 851000.00 558000.00 839000.00 778000.00 502000.00 461000.00 564000.00 614000.00 531000.00 461000.00 827000.00 462000.00 599000.00 563000.00 378000.00 522000.00 659000.00 481000.00 874000.00 696000.00 408000.00 770000.00 954000.00 726000.00 516000.00 526000.00 550000.00 808000.00 809000.00 690000.00 632000.00 460000.00 752000.00 SM(d18:1/18:0 OH) 3500000.00 3170000.00 3360000.00 3300000.00 3660000.00 3480000.00 2070000.00 2560000.00 2370000.00 3140000.00 2910000.00 2800000.00 3100000.00 2690000.00 2670000.00 2760000.00 3310000.00 2350000.00 3230000.00 2170000.00 2850000.00 2980000.00 3170000.00 3910000.00 2860000.00 2110000.00 3200000.00 2450000.00 2910000.00 2720000.00 3170000.00 2710000.00 1780000.00 2360000.00 2990000.00 2190000.00 2770000.00 3490000.00 SM(d18:1/18:0) 1860000.00 3470000.00 2500000.00 2710000.00 2290000.00 2040000.00 1710000.00 2490000.00 2470000.00 2750000.00 1630000.00 3230000.00 2470000.00 2370000.00 1720000.00 2030000.00 2030000.00 2080000.00 2280000.00 2370000.00 2060000.00 2350000.00 2060000.00 2590000.00 2200000.00 1310000.00 2090000.00 1820000.00 1390000.00 1780000.00 1510000.00 1340000.00 1230000.00 1320000.00 1590000.00 1440000.00 1100000.00 1950000.00 SM(d18:1/18:1 OH) 2670000.00 3200000.00 3320000.00 3380000.00 2990000.00 2180000.00 1880000.00 2830000.00 2410000.00 2780000.00 2460000.00 3180000.00 3060000.00 2490000.00 2190000.00 2480000.00 2460000.00 2130000.00 2480000.00 2360000.00 2790000.00 2780000.00 2980000.00 3260000.00 2270000.00 2060000.00 2650000.00 2650000.00 2240000.00 2460000.00 2510000.00 2130000.00 2030000.00 1630000.00 2310000.00 2000000.00 2140000.00 2750000.00 SM(d18:1/18:1) 4430000.00 5030000.00 5540000.00 4050000.00 6860000.00 4600000.00 4280000.00 4990000.00 3760000.00 5620000.00 3450000.00 5150000.00 4910000.00 4250000.00 2890000.00 4690000.00 3440000.00 3570000.00 4350000.00 4590000.00 4770000.00 3190000.00 2470000.00 4980000.00 3250000.00 3050000.00 3030000.00 4720000.00 2240000.00 3160000.00 2670000.00 5360000.00 2910000.00 3440000.00 3160000.00 4190000.00 3280000.00 3330000.00 SM(d18:1/18:2 OH) 5180000.00 6720000.00 6780000.00 5840000.00 7640000.00 7850000.00 3910000.00 6910000.00 5150000.00 5800000.00 6440000.00 7610000.00 6470000.00 5540000.00 4240000.00 4020000.00 4130000.00 4280000.00 4150000.00 5670000.00 5810000.00 5160000.00 5980000.00 5500000.00 4270000.00 3490000.00 4980000.00 5310000.00 3650000.00 4990000.00 4840000.00 3880000.00 3130000.00 4470000.00 5330000.00 4170000.00 4970000.00 5180000.00 SM(d18:1/18:2) 1560000.00 1450000.00 1230000.00 1370000.00 1640000.00 1390000.00 1090000.00 1510000.00 1050000.00 1340000.00 996000.00 1520000.00 1250000.00 1130000.00 871000.00 1150000.00 872000.00 831000.00 906000.00 995000.00 1310000.00 1520000.00 1450000.00 1010000.00 1260000.00 778000.00 933000.00 1240000.00 1030000.00 1040000.00 709000.00 1120000.00 704000.00 1260000.00 1350000.00 866000.00 897000.00 911000.00 SM(d18:1/20:0 OH) 2150000.00 2040000.00 2340000.00 2080000.00 2150000.00 2570000.00 1450000.00 1850000.00 1490000.00 1830000.00 1850000.00 1790000.00 1710000.00 1760000.00 1860000.00 2070000.00 1850000.00 1620000.00 2090000.00 2180000.00 1700000.00 1910000.00 2150000.00 2360000.00 1430000.00 1560000.00 2140000.00 2020000.00 1770000.00 2000000.00 1970000.00 1920000.00 1630000.00 1560000.00 1670000.00 1710000.00 1840000.00 2040000.00 SM(d18:1/20:0) 351000.00 253000.00 346000.00 259000.00 372000.00 364000.00 216000.00 256000.00 116000.00 184000.00 519000.00 384000.00 301000.00 328000.00 189000.00 338000.00 437000.00 267000.00 188000.00 212000.00 215000.00 308000.00 185000.00 385000.00 291000.00 337000.00 411000.00 272000.00 159000.00 498000.00 241000.00 355000.00 83500.00 120000.00 344000.00 273000.00 340000.00 351000.00 SM(d18:1/20:1 OH) 2790000.00 2540000.00 3270000.00 2420000.00 2520000.00 2710000.00 1830000.00 2410000.00 2070000.00 2520000.00 2630000.00 3280000.00 2720000.00 2470000.00 2350000.00 2200000.00 2110000.00 2140000.00 2390000.00 2510000.00 2480000.00 2490000.00 2130000.00 3130000.00 1770000.00 1870000.00 2310000.00 2650000.00 1880000.00 2970000.00 2610000.00 2700000.00 1750000.00 1960000.00 2820000.00 2080000.00 2350000.00 1970000.00 SM(d18:1/20:1) 318000.00 211000.00 665000.00 453000.00 609000.00 301000.00 337000.00 388000.00 236000.00 338000.00 501000.00 737000.00 538000.00 334000.00 275000.00 392000.00 444000.00 324000.00 178000.00 311000.00 315000.00 343000.00 288000.00 352000.00 351000.00 385000.00 367000.00 292000.00 143000.00 399000.00 395000.00 367000.00 200000.00 160000.00 432000.00 225000.00 382000.00 530000.00 SM(d18:1/20:2 OH) 2390000.00 2760000.00 2960000.00 2710000.00 2970000.00 2880000.00 1890000.00 2260000.00 2370000.00 2190000.00 2000000.00 2900000.00 2550000.00 2560000.00 1760000.00 2090000.00 2220000.00 1600000.00 2410000.00 2160000.00 1770000.00 2250000.00 2010000.00 2610000.00 1670000.00 1690000.00 1890000.00 2180000.00 1480000.00 2550000.00 1580000.00 2350000.00 1610000.00 2000000.00 2410000.00 1860000.00 2150000.00 2420000.00 SM(d18:1/20:2) 185000.00 89000.00 237000.00 127000.00 272000.00 114000.00 137000.00 173000.00 87100.00 173000.00 223000.00 270000.00 213000.00 155000.00 176000.00 157000.00 256000.00 148000.00 118000.00 74600.00 159000.00 218000.00 139000.00 163000.00 144000.00 143000.00 151000.00 165000.00 128000.00 207000.00 156000.00 149000.00 98300.00 132000.00 263000.00 160000.00 109000.00 195000.00 SM(d18:1/22:0 OH) 640000.00 520000.00 472000.00 366000.00 484000.00 490000.00 385000.00 482000.00 426000.00 409000.00 432000.00 294000.00 376000.00 491000.00 446000.00 414000.00 337000.00 342000.00 416000.00 418000.00 419000.00 550000.00 323000.00 425000.00 445000.00 303000.00 376000.00 318000.00 271000.00 429000.00 499000.00 390000.00 321000.00 387000.00 445000.00 372000.00 410000.00 418000.00 SM(d18:1/22:0) 1580000.00 1550000.00 1080000.00 1620000.00 1640000.00 1390000.00 734000.00 1350000.00 1180000.00 1860000.00 1460000.00 1870000.00 1270000.00 1910000.00 1020000.00 905000.00 1070000.00 1140000.00 1530000.00 783000.00 1310000.00 1170000.00 1060000.00 1150000.00 881000.00 1010000.00 1080000.00 1450000.00 828000.00 1040000.00 1120000.00 788000.00 786000.00 1040000.00 1340000.00 774000.00 857000.00 1390000.00 SM(d18:1/22:1) 1790000.00 2460000.00 1830000.00 1680000.00 1590000.00 2270000.00 2340000.00 1430000.00 1600000.00 1070000.00 1390000.00 1400000.00 2000000.00 2010000.00 1160000.00 1180000.00 1080000.00 1340000.00 1600000.00 1800000.00 2160000.00 2070000.00 1370000.00 1960000.00 888000.00 845000.00 1340000.00 1410000.00 1140000.00 1210000.00 1700000.00 1450000.00 1670000.00 1070000.00 1850000.00 1200000.00 1420000.00 1790000.00 SM(d18:1/22:2 OH) 1980000.00 2620000.00 2190000.00 2370000.00 2350000.00 2850000.00 1520000.00 2200000.00 1810000.00 1820000.00 1560000.00 2800000.00 2360000.00 2240000.00 1420000.00 1520000.00 2180000.00 1550000.00 1490000.00 1790000.00 1520000.00 1930000.00 1590000.00 2260000.00 1490000.00 1080000.00 1180000.00 1690000.00 1030000.00 1710000.00 1570000.00 1440000.00 1390000.00 1820000.00 1690000.00 1450000.00 1600000.00 2170000.00 SM(d18:1/22:2) 1100000.00 1170000.00 1030000.00 1430000.00 1700000.00 854000.00 706000.00 1020000.00 636000.00 1190000.00 1060000.00 648000.00 1530000.00 612000.00 1080000.00 712000.00 816000.00 993000.00 1100000.00 495000.00 1030000.00 1050000.00 1230000.00 900000.00 990000.00 552000.00 819000.00 937000.00 780000.00 847000.00 672000.00 629000.00 972000.00 1260000.00 1160000.00 1020000.00 644000.00 996000.00 SM(d18:1/23:0) or SM(d18:1/22:1 OH) 1470000.00 1910000.00 1540000.00 1390000.00 1820000.00 2480000.00 1190000.00 1490000.00 1400000.00 1550000.00 1450000.00 1740000.00 1690000.00 1550000.00 1430000.00 1170000.00 1320000.00 1160000.00 1400000.00 1790000.00 1290000.00 1740000.00 1350000.00 1620000.00 1320000.00 989000.00 1020000.00 1090000.00 1060000.00 1220000.00 1330000.00 1370000.00 1120000.00 1210000.00 1610000.00 1030000.00 1130000.00 1510000.00 SM(d18:1/24:0 OH) 268000.00 244000.00 361000.00 304000.00 236000.00 281000.00 190000.00 200000.00 183000.00 191000.00 208000.00 230000.00 228000.00 208000.00 171000.00 175000.00 167000.00 275000.00 213000.00 241000.00 219000.00 336000.00 328000.00 297000.00 268000.00 118000.00 149000.00 166000.00 147000.00 199000.00 251000.00 171000.00 189000.00 240000.00 238000.00 289000.00 220000.00 254000.00 SM(d18:1/24:0) 532000.00 567000.00 609000.00 573000.00 500000.00 615000.00 364000.00 678000.00 626000.00 430000.00 492000.00 439000.00 647000.00 435000.00 335000.00 287000.00 482000.00 329000.00 423000.00 521000.00 482000.00 541000.00 434000.00 645000.00 363000.00 289000.00 452000.00 334000.00 308000.00 447000.00 378000.00 302000.00 319000.00 355000.00 334000.00 297000.00 582000.00 528000.00 SM(d18:1/24:1) 460000.00 730000.00 648000.00 804000.00 526000.00 1240000.00 454000.00 608000.00 485000.00 556000.00 881000.00 717000.00 1070000.00 635000.00 512000.00 438000.00 713000.00 556000.00 266000.00 907000.00 468000.00 592000.00 503000.00 620000.00 517000.00 474000.00 588000.00 469000.00 350000.00 624000.00 676000.00 611000.00 356000.00 420000.00 434000.00 657000.00 744000.00 522000.00 SM(d18:1/24:2 OH) 1110000.00 1340000.00 1370000.00 1160000.00 918000.00 1400000.00 885000.00 921000.00 1270000.00 1200000.00 1180000.00 1130000.00 1250000.00 1240000.00 883000.00 752000.00 817000.00 839000.00 745000.00 1030000.00 941000.00 994000.00 883000.00 1210000.00 878000.00 807000.00 852000.00 718000.00 643000.00 934000.00 848000.00 589000.00 679000.00 947000.00 926000.00 855000.00 824000.00 959000.00 SM(d18:1/25:0) or SM(d18:1/24:1 OH) 523000.00 478000.00 351000.00 459000.00 399000.00 507000.00 225000.00 527000.00 452000.00 379000.00 345000.00 362000.00 387000.00 282000.00 449000.00 264000.00 304000.00 257000.00 259000.00 376000.00 294000.00 434000.00 388000.00 534000.00 365000.00 223000.00 307000.00 315000.00 307000.00 346000.00 272000.00 288000.00 215000.00 379000.00 325000.00 333000.00 259000.00 291000.00 SM(d18:1/26:0 OH) 352000.00 323000.00 429000.00 423000.00 230000.00 205000.00 232000.00 164000.00 258000.00 273000.00 144000.00 147000.00 705000.00 382000.00 361000.00 184000.00 252000.00 222000.00 137000.00 210000.00 240000.00 350000.00 370000.00 308000.00 349000.00 205000.00 143000.00 225000.00 181000.00 406000.00 200000.00 267000.00 66900.00 310000.00 256000.00 175000.00 116000.00 123000.00 SM(d18:1/26:0) 166000.00 188000.00 145000.00 157000.00 178000.00 227000.00 104000.00 133000.00 178000.00 134000.00 109000.00 127000.00 158000.00 154000.00 108000.00 187000.00 144000.00 139000.00 194000.00 147000.00 152000.00 173000.00 142000.00 231000.00 161000.00 91100.00 99000.00 157000.00 177000.00 186000.00 121000.00 155000.00 151000.00 136000.00 151000.00 116000.00 137000.00 129000.00 SM(d18:1/26:1 OH) 162000.00 86300.00 309000.00 140000.00 95300.00 93000.00 75400.00 94900.00 99500.00 97000.00 77100.00 102000.00 78900.00 53400.00 152000.00 101000.00 122000.00 159000.00 112000.00 153000.00 113000.00 112000.00 133000.00 121000.00 101000.00 193000.00 83100.00 98900.00 177000.00 81400.00 84800.00 98300.00 63600.00 140000.00 122000.00 103000.00 68700.00 112000.00 SM(d18:1/26:1) 254000.00 170000.00 203000.00 175000.00 173000.00 181000.00 69500.00 173000.00 123000.00 156000.00 87900.00 141000.00 101000.00 160000.00 131000.00 110000.00 143000.00 141000.00 154000.00 162000.00 132000.00 202000.00 117000.00 225000.00 120000.00 123000.00 108000.00 96100.00 121000.00 154000.00 80900.00 127000.00 66700.00 120000.00 87400.00 131000.00 139000.00 154000.00 SM(d18:1/26:2 OH) 175000.00 52000.00 125000.00 77400.00 92300.00 106000.00 49900.00 50000.00 93900.00 68100.00 71500.00 66200.00 92000.00 86900.00 75500.00 55200.00 51300.00 67200.00 106000.00 78800.00 95100.00 131000.00 89600.00 70600.00 93100.00 86300.00 72400.00 84900.00 116000.00 56800.00 83600.00 53100.00 38500.00 88100.00 95400.00 104000.00 65800.00 69100.00 SM(d18:1/26:2) 230000.00 147000.00 213000.00 112000.00 181000.00 126000.00 129000.00 128000.00 130000.00 138000.00 107000.00 133000.00 124000.00 132000.00 129000.00 107000.00 147000.00 149000.00 183000.00 154000.00 159000.00 185000.00 147000.00 161000.00 106000.00 112000.00 113000.00 121000.00 125000.00 162000.00 115000.00 108000.00 93000.00 150000.00 126000.00 127000.00 140000.00 151000.00 Sphingosine 1-phosphate 516000.00 376000.00 324000.00 454000.00 232000.00 129000.00 144000.00 345000.00 294000.00 339000.00 203000.00 331000.00 227000.00 248000.00 361000.00 219000.00 146000.00 219000.00 380000.00 186000.00 418000.00 310000.00 335000.00 234000.00 337000.00 294000.00 313000.00 268000.00 276000.00 275000.00 300000.00 221000.00 293000.00 369000.00 195000.00 257000.00 276000.00 162000.00 Suberic Acid 769000.00 654000.00 971000.00 906000.00 933000.00 748000.00 809000.00 886000.00 692000.00 527000.00 610000.00 644000.00 695000.00 966000.00 705000.00 548000.00 638000.00 554000.00 636000.00 828000.00 675000.00 502000.00 563000.00 612000.00 983000.00 666000.00 687000.00 626000.00 670000.00 871000.00 718000.00 611000.00 704000.00 675000.00 636000.00 656000.00 622000.00 647000.00 Succinic acid 1840000.00 1760000.00 1430000.00 2060000.00 2850000.00 2010000.00 2100000.00 2560000.00 1780000.00 1540000.00 1770000.00 2010000.00 2440000.00 1710000.00 2030000.00 1250000.00 1740000.00 1250000.00 1550000.00 1810000.00 2170000.00 1810000.00 2040000.00 2010000.00 2920000.00 1200000.00 1650000.00 1730000.00 1650000.00 1430000.00 1340000.00 1430000.00 1300000.00 1390000.00 1150000.00 1300000.00 1450000.00 1440000.00 Taurine 96900000.00 55100000.00 70100000.00 54000000.00 44900000.00 43200000.00 52300000.00 89400000.00 71900000.00 48800000.00 81600000.00 44900000.00 52400000.00 65900000.00 64500000.00 49600000.00 90300000.00 51100000.00 40300000.00 39000000.00 65000000.00 64300000.00 74200000.00 46700000.00 44700000.00 52900000.00 56100000.00 72400000.00 60400000.00 61500000.00 71500000.00 39300000.00 44200000.00 84400000.00 46400000.00 29200000.00 40000000.00 46800000.00 Taurocholic acid 157000.00 427000.00 3000000.00 894000.00 2550000.00 187000.00 167000.00 248000.00 496000.00 529000.00 602000.00 248000.00 50900.00 500000.00 331000.00 2210000.00 1660000.00 1640000.00 1190000.00 548000.00 346000.00 86600.00 685000.00 584000.00 1390000.00 2820000.00 2960000.00 741000.00 158000.00 3470000.00 656000.00 350000.00 290000.00 2260000.00 195000.00 181000.00 2930000.00 366000.00 Taurodeoxycholic acid 209000.00 568000.00 5480000.00 1600000.00 4490000.00 245000.00 321000.00 575000.00 790000.00 1360000.00 748000.00 310000.00 91400.00 921000.00 726000.00 3440000.00 5700000.00 2100000.00 3590000.00 437000.00 374000.00 345000.00 719000.00 604000.00 1480000.00 3590000.00 4560000.00 2710000.00 603000.00 5920000.00 2420000.00 418000.00 678000.00 1880000.00 415000.00 408000.00 2110000.00 1040000.00 Uracil 242000.00 267000.00 258000.00 252000.00 233000.00 197000.00 230000.00 178000.00 229000.00 192000.00 227000.00 175000.00 216000.00 207000.00 237000.00 192000.00 189000.00 287000.00 235000.00 359000.00 175000.00 230000.00 321000.00 156000.00 280000.00 246000.00 266000.00 124000.00 197000.00 192000.00 278000.00 167000.00 345000.00 252000.00 221000.00 167000.00 236000.00 287000.00 Ureidosuccinic acid 1240000.00 872000.00 1430000.00 928000.00 1160000.00 969000.00 1080000.00 871000.00 1120000.00 968000.00 1080000.00 769000.00 1000000.00 880000.00 1060000.00 1220000.00 845000.00 652000.00 1070000.00 925000.00 1100000.00 1290000.00 1120000.00 1590000.00 897000.00 870000.00 756000.00 828000.00 1080000.00 818000.00 988000.00 673000.00 827000.00 873000.00 895000.00 868000.00 979000.00 884000.00 Uric acid 63300000.00 66000000.00 49600000.00 55200000.00 73800000.00 55000000.00 53300000.00 54900000.00 36800000.00 46100000.00 41700000.00 73300000.00 68800000.00 48300000.00 53600000.00 58300000.00 43500000.00 56400000.00 56400000.00 24800000.00 69500000.00 52800000.00 68800000.00 41100000.00 81100000.00 61900000.00 39600000.00 50200000.00 50700000.00 62200000.00 46400000.00 36700000.00 44800000.00 55200000.00 49500000.00 52900000.00 43200000.00 50100000.00 Uridine 3480000.00 2860000.00 2920000.00 2530000.00 1580000.00 1280000.00 1500000.00 2430000.00 2910000.00 1330000.00 2090000.00 2910000.00 2600000.00 1420000.00 1550000.00 1530000.00 922000.00 1390000.00 865000.00 3170000.00 1240000.00 1460000.00 2880000.00 1100000.00 1470000.00 1520000.00 2790000.00 976000.00 1930000.00 1540000.00 2250000.00 1200000.00 1870000.00 2110000.00 1830000.00 906000.00 2190000.00 1610000.00 Xanthine 4200000.00 3350000.00 3330000.00 4030000.00 3920000.00 3760000.00 2990000.00 5150000.00 4740000.00 3050000.00 2430000.00 6170000.00 11800000.00 2650000.00 2490000.00 3220000.00 64700000.00 3980000.00 2600000.00 3650000.00 3240000.00 3360000.00 4100000.00 3090000.00 3000000.00 2280000.00 4840000.00 2270000.00 3870000.00 4070000.00 4680000.00 2590000.00 3250000.00 3840000.00 4760000.00 1870000.00 49400000.00 2770000.00 Xanthosine 256000.00 198000.00 196000.00 163000.00 210000.00 240000.00 142000.00 159000.00 210000.00 135000.00 165000.00 142000.00 593000.00 143000.00 137000.00 212000.00 13600000.00 180000.00 136000.00 180000.00 214000.00 265000.00 281000.00 165000.00 171000.00 114000.00 193000.00 250000.00 143000.00 202000.00 207000.00 89800.00 106000.00 182000.00 154000.00 69800.00 11900000.00 233000.00 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name HMDB ID PubChem ID ChEBI ID KEGG ID METLIN ID 12-HETE HMDB06111 5312983 13S-hydroxyoctadecadienoic acid HMDB04667 6443013 34154 C14762 2,3-Diphosphoglyceric acid HMDB01294 186004 17720 C01159 153 20-Hydroxyeicosatetraenoic acid HMDB05998 5283157 34306 C14748 2-Hydroxy-3-methylbutyric acid HMDB00407 99823 60645 5396 2-Hydroxyglutarate HMDB59655 43 17084 C02630 2-Isopropylmalic acid HMDB00402 5280523 35128 C02504 339 2-Ketobutyric acid HMDB00005 58 30831 C00109 2-Ketohexanoic acid HMDB01864 159664 17308 C00902 4144 2-Keto-L-gluconate HMDB11732 50 C15673 2-Methylcitric acid HMDB00379 515 30835 5368 2-Pyrocatechuic acid HMDB00397 19 18026 C00196 5386 3-methylphenylacetic acid HMDB02222 12121 329287 6557 3-Phosphoglyceric acid HMDB00807 724 17050 C00597 150 4-Hydroxybenzoic acid HMDB00500 135 30763 C00156 5486 4-Hydroxyphenyllactic acid HMDB00755 9378 17385 C03672 5723 4-Hydroxyphenylpyruvic acid HMDB00707 979 15999 C01179 5675 4-Pyridoxic acid HMDB00017 6723 17405 C00847 239 Acetic acid HMDB00042 176 15366 C00033 3206 Acetoacetic acid HMDB00060 96 15344 C00164 276 Adenosine diphosphate HMDB01341 6022 16761 C00008 6175 Adipic acid HMDB00448 196 30832 C06104 115 AICAR HMDB01517 65110 18406 C04677 6294 Allantoic acid HMDB01209 203 30837 C00499 343 Alpha-ketoisovaleric acid HMDB00019 49 16530 C00141 5091 Aminoadipic acid HMDB00510 469 37024 C00956 5496 Androsterone sulfate HMDB02759 159663 C04555 3559 Arachidonic Acid HMDB01043 444899 15843 C00219 193 Arginine HMDB00517 6322 16467 C00062 5502 Benzoic acid HMDB01870 243 30746 C00180 1297 Chenodeoxycholic acid HMDB00518 10133 16755 C02528 207 Chenodeoxyglycocholic acid HMDB06898 53477907 C05462 Cholesteryl sulfate HMDB00653 65076 41321 C18043 5625 cis-aconitic acid HMDB00072 643757 32805 C00417 5130 Citramalic acid HMDB00426 1081 15584 C00815 5415 Citric acid HMDB00094 311 30769 C00158 124 Citrulline HMDB00904 9750 16349 C00327 16 CL(18:2/18:1/18:1/20:4) CL(18:2/18:2/16:1/16:1) CL(18:2/18:2/18:1/18:1) HMDB10236 53480370 CL(18:2/18:2/18:2/16:1) CL(18:2/18:2/18:2/18:1) CL(18:2/18:2/18:2/18:2) HMDB10692 5283539 CL(18:2/18:2/18:2/20:4) CL(18:2/18:2/18:2/22:6) Dehydroascorbic acid HMDB01264 210328 17242 C00425 342 Dehydroepiandrosterone sulfate HMDB01032 12594 16814 C04555 4095 Deoxycholic acid HMDB00626 222528 28834 C04483 265 Deoxyguanosine HMDB00085 187790 17172 C00330 3395 D-Glyceraldehyde 3-phosphate HMDB01112 729 17138 C00661 3294 Docosahexaenoic acid HMDB02183 445580 28125 C06429 3457 Eicosapentaenoic acid HMDB01999 446284 28364 C06428 6423 Gamma glutamyl-Alanine HMDB01011 440021 27754 C03460 5941 Gluconic acid HMDB00625 10690 33198 C00257 345 Gluconolactone HMDB00150 7027 16217 C00198 353 Glyceric acid HMDB00139 439194 32398 C00258 280 Glycerol HMDB00131 753 17522 C00116 105 Glycerol 3-phosphate HMDB00126 439162 15978 C00093 5161 Glycocholic acid HMDB00138 23617285 29746 C01921 5169 Glyoxylic acid HMDB00119 760 16891 C00048 3213 Guanosine HMDB00133 6802 16750 C00387 87 Hexacosanoic acid HMDB02356 10469 31009 6642 Glucose HMDB00122 5793 4167 C00031 133 Hippuric acid HMDB00714 464 18089 C01586 1301 Homovanillic acid HMDB00118 1738 545959 C05582 971 Hydroxyisocaproic acid HMDB00746 83697 44510 5714 Hypoxanthine HMDB00157 790 17368 C00262 83 Indoxyl sulfate HMDB00682 10258 43355 524 Inosine HMDB00195 6021 17596 C00294 84 Isocitric acid HMDB00193 1198 30887 C00311 3328 Isovalerylglycine HMDB00678 546304 5647 Itaconic acid HMDB02092 811 30838 C00490 6483 Ketoleucine HMDB00695 70 48430 C00233 5663 Kynurenic acid HMDB00715 3845 18344 C01717 5683 L-Aspartic acid HMDB00191 5960 17053 C00049 5206 L-Cystine HMDB00192 67678 16283 C00491 5207 Linoleic acid HMDB00673 5280450 17351 C01595 191 Lipoic acid HMDB01451 6112 30314 C00725 126 L-Lactic acid HMDB00190 107689 422 C00186 5205 L-Threonine HMDB00167 6288 16857 C00188 32 Malic acid HMDB00156 222656 30797 C00149 Malonic acid HMDB00691 867 30794 C00383 3237 Methylmalonic acid HMDB00202 487 30860 C02170 3712 Methylsuccinic Acid HMDB01844 10349 29003 C08645 6344 Myoinositol HMDB00211 17268 C00137 5221 N-Acetylglutamic acid HMDB01138 185 12575 C00624 6031 N-Acetyl-L-aspartic acid HMDB00812 65065 21547 C01042 5776 N-acetylserine HMDB02931 65249 308 Octulose-monophosphate Oleic acid HMDB00207 445639 16196 C00712 190 Orotic acid HMDB00226 967 16742 C00295 318 Oxaloacetic acid HMDB00223 970 30744 C00036 123 PA(16:0/16:0) HMDB00674 446066 C00416 5644 PA(16:0/16:1) PA(16:1/16:1) PA(16:1/18:1) PA(18:0/16:1) PA(18:0/18:1) PA(18:1/18:1) HMDB07865 14057128 C00416 5609 p-Aminobenzoic acid HMDB01392 978 30753 C00568 3261 Pantothenic acid HMDB00210 988 7916 C00864 241 PE (18:0/18:0) PE(20:4/18:1) HMDB09389 52924645 C00350 PE(34:1) HMDB08927 5283496 C00350 PE(34:2) HMDB08928 9546747 C00350 PE(36:1) HMDB08993 9546742 C00350 PE(36:2) HMDB08994 9546749 C00350 PE(36:3) HMDB09060 9546753 C00350 PE(36:4) HMDB08937 9546800 C00350 PG(34:1) HMDB10573 5289145 Phenylacetylglutamine HMDB06344 92258 17884 C04148 Phenyllactic acid HMDB00779 3848 25998 C01479 5745 p-Hydroxyphenylacetic acid HMDB00020 127 18101 C00642 130 PI(16:0/16:0) HMDB09778 C00626 PI(32:2) PI(34:0) PI(34:1) PI(34:2) PI(36:0) PI(36:1) PI(36:2) PI(36:4) PI(38:3) PI(38:4) PI(38:5) PI(40:5) Plasmalogen(20:4/p18:0) Plasmalogen(22:6/p16:0) Plasmalogen(p16:0/20:4) Plasmalogen(p18:0/22:6) PS(18:0/18:1) HMDB10163 59720717 C02737 PS(18:0/20:4) HMDB12383 24779545 PS(36:0) HMDB12378 9547096 PS(36:2) HMDB12390 6438639 60568 Pseudouridine HMDB00767 15047 17802 C02067 5734 Pyroglutamic acid HMDB00267 7405 18183 C01879 3251 Pyruvic acid HMDB00243 1060 32816 C00022 117 Quinolinic Acid HMDB00232 1066 16675 C03722 330 D-Ribose 5-phosphate HMDB01548 439167 52742 C00117 6315 S-Adenosylhomocysteine HMDB00939 439155 16680 C00021 296 Shikimate 3-phosphate HMDB08497 52923351 C00157 SM (d18:1/24:2) SM(d18:1/16:0 OH) SM(d18:1/16:0) HMDB10169 5283590 17636 C00550 SM(d18:1/16:1 OH) SM(d18:1/16:1) SM(d18:1/16:2 OH) SM(d18:1/16:2) SM(d18:1/18:0 OH) SM(d18:1/18:0) HMDB01348 5283588 17636 C00550 176 SM(d18:1/18:1 OH) SM(d18:1/18:1) SM(d18:1/18:2 OH) SM(d18:1/18:2) SM(d18:1/20:0 OH) SM(d18:1/20:0) HMDB12102 44260124 113818 C00550 SM(d18:1/20:1 OH) SM(d18:1/20:1) SM(d18:1/20:2 OH) SM(d18:1/20:2) SM(d18:1/22:0 OH) SM(d18:1/22:0) HMDB12103 44260125 17636 C00550 SM(d18:1/22:1) SM(d18:1/22:2 OH) SM(d18:1/22:2) SM(d18:1/23:0) or SM(d18:1/22:1 OH) SM(d18:1/24:0 OH) SM(d18:1/24:0) HMDB11697 5283595 SM(d18:1/24:1) SM(d18:1/24:2 OH) SM(d18:1/25:0) or SM(d18:1/24:1 OH) SM(d18:1/26:0 OH) SM(d18:1/26:0) HMDB11698 5283597 C00550 SM(d18:1/26:1 OH) SM(d18:1/26:1) SM(d18:1/26:2 OH) SM(d18:1/26:2) Sphingosine 1-phosphate HMDB00277 5353956 392583 C06124 5272 Suberic Acid HMDB00893 10457 9300 C08278 4243 Succinic acid HMDB00254 1110 15741 C00042 114 Taurine HMDB00251 1123 15891 C00245 31 Taurocholic acid HMDB00036 440567 28865 C05122 5104 Taurodeoxycholic acid HMDB00896 2733768 9410 C05463 5853 Uracil HMDB00300 1174 17568 C00106 258 Ureidosuccinic acid HMDB00828 93072 15859 C00438 5791 Uric acid HMDB00289 1175 17775 C00366 88 Uridine HMDB00296 6029 16704 C00299 90 Xanthine HMDB00292 1188 17712 C00385 82 Xanthosine HMDB00299 64959 18107 C01762 3408 METABOLITES_END #END