#METABOLOMICS WORKBENCH abatova_20160909_152511 DATATRACK_ID:733 VERSION 1 CREATED_ON November 16, 2016, 8:56 am #PROJECT PR:PROJECT_TITLE Uniquely Tumor-Selective Englerin A Profoundly Alters Lipid Metabolism in Renal PR:PROJECT_TITLE Cell Carcinoma inducing ER-Stress and an Acute Inflammatory Response PR:PROJECT_TYPE Cancer cell PR:PROJECT_SUMMARY Renal cell carcinoma (RCC) is among the top ten most common forms of cancer and PR:PROJECT_SUMMARY is the most common malignancy of the kidney. Screening of plant extracts in PR:PROJECT_SUMMARY search of new anti-cancer agents resulted in the discovery of englerin A, a PR:PROJECT_SUMMARY guaiane sesquiterpene with potent cytotoxicity against renal cancer cells and a PR:PROJECT_SUMMARY small subset of other cancer cells. the current study used a systems biology PR:PROJECT_SUMMARY approach to explore the mechanism(s) of action of engerin A at a more global PR:PROJECT_SUMMARY level.Our metabolomics analyses indicated that englerin A profoundly altered PR:PROJECT_SUMMARY lipid metabolism in cc-RCC cell lines and generated significant levels of PR:PROJECT_SUMMARY ceramides that were highly toxic to these cells. Microarray analyses determined PR:PROJECT_SUMMARY that englerin A induced ER stress signaling and an acute inflammatory response, PR:PROJECT_SUMMARY which was confirmed by quantitative PCR and Western Blot analyses.Our findings PR:PROJECT_SUMMARY suggest that cc-RCC is highly sensitive to disruptions in lipid metabolism and PR:PROJECT_SUMMARY ER stress and that these vulnerabilities can be targeted for the treatment of PR:PROJECT_SUMMARY cc-RCC and possibly other lipid storing cancers. PR:INSTITUTE University of California, San Diego PR:DEPARTMENT Department of Pediatrics PR:LAST_NAME Batova PR:FIRST_NAME Ayse PR:ADDRESS La Jolla, CA 92093 PR:EMAIL abatova@ucsd.edu PR:PHONE 619-543-1962 #STUDY ST:STUDY_TITLE Uniquely Tumor-Selective Englerin A Profoundly Alters Lipid Metabolism in Renal ST:STUDY_TITLE Cell Carcinoma inducing ER-Stress and an Acute Inflammatory Response ST:STUDY_TYPE Metabolomic effect of Englerin A on renal cell carcinoma ST:STUDY_SUMMARY This targeted metabolomic analysis was performed on renal cell carcinoma A498 ST:STUDY_SUMMARY cells with or without anti-cancer drug Englerin treatment for 24 and 48 h. ST:INSTITUTE University of California, San Diego ST:DEPARTMENT Department of Pediatrics ST:LAST_NAME Batova ST:FIRST_NAME Ayse ST:ADDRESS La Jolla, CA 92093 ST:EMAIL abatova@ucsd.edu ST:PHONE 619-543-1962 ST:NUM_GROUPS Two groups for 24 h treatment (control and Eglerin treatment) and two groups for ST:NUM_GROUPS 48 h treatment. Each has 4 replicates ST:TOTAL_SUBJECTS 16 #SUBJECT SU:SUBJECT_TYPE Human renal cancer cells SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - 1 Time:24hr | Treatment:Englerin (100 nM) SUBJECT_SAMPLE_FACTORS - 2 Time:24hr | Treatment:Englerin (100 nM) SUBJECT_SAMPLE_FACTORS - 3 Time:24hr | Treatment:Englerin (100 nM) SUBJECT_SAMPLE_FACTORS - 4 Time:24hr | Treatment:Englerin (100 nM) SUBJECT_SAMPLE_FACTORS - 5 Time:24hr | Treatment:Control SUBJECT_SAMPLE_FACTORS - 6 Time:24hr | Treatment:Control SUBJECT_SAMPLE_FACTORS - 7 Time:24hr | Treatment:Control SUBJECT_SAMPLE_FACTORS - 8 Time:24hr | Treatment:Control SUBJECT_SAMPLE_FACTORS - 9 Time:48hr | Treatment:Englerin (100 nM) SUBJECT_SAMPLE_FACTORS - 10 Time:48hr | Treatment:Englerin (100 nM) SUBJECT_SAMPLE_FACTORS - 11 Time:48hr | Treatment:Englerin (100 nM) SUBJECT_SAMPLE_FACTORS - 12 Time:48hr | Treatment:Englerin (100 nM) SUBJECT_SAMPLE_FACTORS - 13 Time:48hr | Treatment:Control SUBJECT_SAMPLE_FACTORS - 14 Time:48hr | Treatment:Control SUBJECT_SAMPLE_FACTORS - 15 Time:48hr | Treatment:Control SUBJECT_SAMPLE_FACTORS - 16 Time:48hr | Treatment:Control #COLLECTION CO:COLLECTION_SUMMARY Cell extracts were obtained by the addition of 1 ml of ice-cold methanol:water CO:COLLECTION_SUMMARY (80:20) to each dish followed by scraping cells into 1.7ml Eppendorf tubes and CO:COLLECTION_SUMMARY vortexing vigorously for 30 sec. A 50 ul aliquot of sample was removed for the CO:COLLECTION_SUMMARY picogreen DNA assay for purposes of biomass normalization, and the remaining CO:COLLECTION_SUMMARY sample was kept at -80˚C until ready for metabolomic analysis. #TREATMENT TR:TREATMENT_SUMMARY A498 cells were plated in 100mm dishes at 0.5 x 106 and 1 x 106 cells/dish in TR:TREATMENT_SUMMARY complete RPMI for control and treated cells, respectively. The following day, TR:TREATMENT_SUMMARY cells were refed with complete RPMI containing 0.1% DMSO or 100 nM englerin A in TR:TREATMENT_SUMMARY DMSO with each condition being conducted in quadruplicate. Cells were incubated TR:TREATMENT_SUMMARY with vehicle or englerin A for 24 or 48 h and then they were snap frozen with TR:TREATMENT_SUMMARY liquid nitrogen. TR:TREATMENT Anticaner drug TR:TREATMENT_COMPOUND Englerin A TR:TREATMENT_ROUTE Direct incubation TR:TREATMENT_DOSE 100 nM TR:TREATMENT_DOSEDURATION 24hr and 48hr #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Typically, 300 µl of cells in methanol:water (80:20) was thawed on ice and SP:SAMPLEPREP_SUMMARY transferred to a 1.7 ml Eppendorf tube. Five µl of a cocktail containing 25-35 SP:SAMPLEPREP_SUMMARY commercial stable isotope internal standards, and 5.0 µl of 57 stable isotope SP:SAMPLEPREP_SUMMARY internal standards that were custom-synthesized in E. coli and S. cerevisiae by SP:SAMPLEPREP_SUMMARY metabolic labeling with 13C-glucose, and 13C-bicarbonate, were added, and SP:SAMPLEPREP_SUMMARY vortexed vigorously for 30 sec. Macromolecules (protein, DNA, RNA, glycans, SP:SAMPLEPREP_SUMMARY etc.) then were removed by centrifugation at 16,000g x 10 min at 4˚C. The SP:SAMPLEPREP_SUMMARY supernatants containing the extracted metabolites and internal standards were SP:SAMPLEPREP_SUMMARY transferred to labeled cryotubes and stored at -80˚C for LC-MS/MS analysis. SP:EXTRACT_STORAGE -80C SP:SAMPLE_DERIVATIZATION No SP:SAMPLE_SPIKING Five µl of a cocktail containing 25-35 commercial stable isotope internal SP:SAMPLE_SPIKING standards, and 5.0 µl of 57 stable isotope internal standards that were SP:SAMPLE_SPIKING custom-synthesized in E. coli and S. cerevisiae by metabolic labeling with SP:SAMPLE_SPIKING 13C-glucose, and 13C-bicarbonate, were added SP:CELL_TYPE Renal cancer cell #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY HILIC CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Shimadzu 20AD CH:COLUMN_NAME Luna NH2 aminopropyl HPLC column CH:FLOW_GRADIENT 0 min—95% B, 4 min—B, 19 min—2% B, 22 min—2% B, 23 min—95% B, 28 CH:FLOW_GRADIENT min—end. CH:FLOW_RATE 0.3 ml/min CH:COLUMN_TEMPERATURE 25C CH:SOLVENT_A 95% water with 23.18mM NH4OH+20 mM formic acid (Ph 9.4) CH:SOLVENT_B 100% acetonitirle CH:ANALYTICAL_TIME 28 min CH:OVEN_TEMPERATURE 25C CH:TARGET_SAMPLE_TEMPERATURE 4C CH:SAMPLE_LOOP_SIZE 10 ul CH:SAMPLE_SYRINGE_SIZE 100 ul #ANALYSIS AN:ANALYSIS_TYPE MS AN:DETECTOR_TYPE MRM #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME ABI Sciex 5500 QTrap MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:COLLISION_ENERGY Compound-specific MS:COLLISION_GAS High MS:FRAGMENTATION_METHOD MRM MS:ION_SOURCE_TEMPERATURE 500C MS:IONIZATION ESI MS:MASS_ACCURACY 0.1Da #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS AUC MS_METABOLITE_DATA_START Samples 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 Factors Time:24hr | Treatment:Englerin (100 nM) Time:24hr | Treatment:Englerin (100 nM) Time:24hr | Treatment:Englerin (100 nM) Time:24hr | Treatment:Englerin (100 nM) Time:24hr | Treatment:Control Time:24hr | Treatment:Control Time:24hr | Treatment:Control Time:24hr | Treatment:Control Time:48hr | Treatment:Englerin (100 nM) Time:48hr | Treatment:Englerin (100 nM) Time:48hr | Treatment:Englerin (100 nM) Time:48hr | Treatment:Englerin (100 nM) Time:48hr | Treatment:Control Time:48hr | Treatment:Control Time:48hr | Treatment:Control Time:48hr | Treatment:Control 1-Methyladenosine 39200000.0000 40100000.0000 43000000.0000 37200000.0000 51600000.0000 38000000.0000 86400000.0000 24500000.0000 17900000.0000 12000000.0000 55700000.0000 17500000.0000 22000000.0000 52900000.0000 47100000.0000 20200000.0000 1-Methylhistamine N N N N N N N N N N N N N N N N 1-Methylhistidine 148000000.0000 115000000.0000 116000000.0000 94600000.0000 365000000.0000 133000000.0000 254000000.0000 84500000.0000 58600000.0000 36400000.0000 211000000.0000 140000000.0000 85500000.0000 166000000.0000 181000000.0000 185000000.0000 1-Methylnicotinamide N N N N N N N N N N N N N N N N 1-Pyrroline-5-carboxylic acid 4620000.0000 4140000.0000 4120000.0000 4260000.0000 9890000.0000 4960000.0000 9590000.0000 3850000.0000 2340000.0000 1200000.0000 7150000.0000 5600000.0000 3030000.0000 6150000.0000 5840000.0000 6470000.0000 24,25-Dihydrolanosterol 1150000.0000 1000000.0000 745000.0000 935000.0000 1710000.0000 1470000.0000 1330000.0000 1730000.0000 752000.0000 623000.0000 995000.0000 1080000.0000 1910000.0000 1440000.0000 1300000.0000 2330000.0000 24,25-Epoxycholesterol 118000.0000 115000.0000 99600.0000 141000.0000 61200.0000 132000.0000 190000.0000 349000.0000 143000.0000 116000.0000 34300.0000 176000.0000 232000.0000 158000.0000 196000.0000 237000.0000 2-Arachidonylglycerol 57200.0000 146000.0000 47900.0000 109000.0000 55200.0000 35300.0000 109000.0000 160000.0000 160000.0000 41000.0000 67700.0000 68300.0000 355000.0000 90200.0000 91400.0000 175000.0000 2-Deoxyguanosine 5-monophosphate N N N N N N N N N N N N N N N N 2-Octenoylcarnitine N N N N N N N N N N N N N N N N 3, 5-Tetradecadiencarnitine 741000.0000 775000.0000 784000.0000 859000.0000 619000.0000 790000.0000 1540000.0000 824000.0000 239000.0000 206000.0000 637000.0000 903000.0000 733000.0000 776000.0000 884000.0000 1300000.0000 3,3,5-Triiodothyronine 158000.0000 175000.0000 119000.0000 318000.0000 185000.0000 124000.0000 322000.0000 172000.0000 125000.0000 33100.0000 200000.0000 273000.0000 126000.0000 153000.0000 157000.0000 78500.0000 3-Hydroxyanthranilic acid 182000.0000 146000.0000 101000.0000 134000.0000 113000.0000 269000.0000 176000.0000 105000.0000 92600.0000 68800.0000 135000.0000 1970000.0000 92200.0000 219000.0000 121000.0000 2220000.0000 3-Hydroxy-cis-5-tetradecenoylcarnitine 2400000.0000 1910000.0000 1960000.0000 2120000.0000 1030000.0000 1450000.0000 2690000.0000 1400000.0000 564000.0000 534000.0000 1230000.0000 1120000.0000 3160000.0000 4230000.0000 3230000.0000 4260000.0000 3-Hydroxydodecanoylcarnitine 147000000.0000 141000000.0000 141000000.0000 145000000.0000 286000000.0000 195000000.0000 443000000.0000 181000000.0000 113000000.0000 75600000.0000 263000000.0000 147000000.0000 107000000.0000 151000000.0000 158000000.0000 117000000.0000 3-Hydroxyhexadecanoylcarnitine 1570000.0000 1200000.0000 1030000.0000 1530000.0000 1820000.0000 2000000.0000 2690000.0000 2070000.0000 1280000.0000 1410000.0000 1350000.0000 1990000.0000 3480000.0000 3140000.0000 2200000.0000 3450000.0000 3-Hydroxyhexadecenoylcarnitine 6610000.0000 4210000.0000 4280000.0000 5340000.0000 1830000.0000 2160000.0000 3160000.0000 2230000.0000 811000.0000 774000.0000 1510000.0000 1920000.0000 9550000.0000 11900000.0000 10500000.0000 12000000.0000 3-Hydroxyhexanoylcarnitine N N N N N N N N N N N N N N N N 3-Hydroxyiso-/butyrylcarnitine 13200000.0000 12500000.0000 11300000.0000 11700000.0000 21100000.0000 19600000.0000 42100000.0000 16600000.0000 12000000.0000 8170000.0000 29500000.0000 20000000.0000 7620000.0000 14600000.0000 12200000.0000 10800000.0000 3-Hydroxyisovaleryl Carnitine 12100000.0000 11600000.0000 10300000.0000 9840000.0000 17300000.0000 18100000.0000 37300000.0000 13400000.0000 8180000.0000 5280000.0000 21000000.0000 14600000.0000 7530000.0000 13200000.0000 10700000.0000 11100000.0000 3-Hydroxylinoleylcarnitine 5700000.0000 5820000.0000 5010000.0000 6600000.0000 3950000.0000 6730000.0000 9130000.0000 7480000.0000 5270000.0000 3380000.0000 5490000.0000 9050000.0000 8800000.0000 8090000.0000 6690000.0000 10900000.0000 3-Hydroxyoleoylcarnitine 2070000.0000 1530000.0000 2040000.0000 1710000.0000 437000.0000 761000.0000 1010000.0000 801000.0000 473000.0000 313000.0000 368000.0000 580000.0000 3920000.0000 3780000.0000 3480000.0000 5160000.0000 5,6-trans-25-Hydroxyvitamin D3 14900000.0000 13900000.0000 9040000.0000 21100000.0000 26100000.0000 12700000.0000 41900000.0000 29600000.0000 23400000.0000 12200000.0000 11100000.0000 17500000.0000 28600000.0000 11000000.0000 15800000.0000 17900000.0000 5alpha-Cholestanol N N N N N N N N N N N N N N N N 5-Methylthioadenosine N N N N N N N N N N N N N N N N 7a-Hydroxycholesterol 284000.0000 643000.0000 321000.0000 572000.0000 719000.0000 454000.0000 950000.0000 931000.0000 364000.0000 146000.0000 316000.0000 625000.0000 903000.0000 440000.0000 596000.0000 600000.0000 7-Dehydrocholesterol 291000.0000 246000.0000 251000.0000 436000.0000 610000.0000 468000.0000 940000.0000 687000.0000 311000.0000 272000.0000 226000.0000 533000.0000 692000.0000 270000.0000 408000.0000 461000.0000 7-ketocholesterol 4990000.0000 3770000.0000 2590000.0000 6430000.0000 7810000.0000 7020000.0000 15200000.0000 11400000.0000 7440000.0000 3610000.0000 3360000.0000 7520000.0000 8500000.0000 3450000.0000 4610000.0000 6320000.0000 7-Methylguanosine 1860000.0000 1690000.0000 1340000.0000 1580000.0000 2170000.0000 1760000.0000 2230000.0000 872000.0000 658000.0000 1500000.0000 2040000.0000 1790000.0000 1690000.0000 2590000.0000 2540000.0000 3070000.0000 9-Decenoylcarnitine 2630000.0000 1850000.0000 1790000.0000 2000000.0000 1710000.0000 1930000.0000 5570000.0000 1440000.0000 1200000.0000 739000.0000 2230000.0000 3620000.0000 1240000.0000 4550000.0000 2310000.0000 2210000.0000 9-Hexadecenoylcarnitine 11600000.0000 7110000.0000 8050000.0000 8890000.0000 3630000.0000 4890000.0000 6590000.0000 4060000.0000 1550000.0000 1760000.0000 2690000.0000 2200000.0000 12100000.0000 18000000.0000 15500000.0000 16800000.0000 Acetylcholine 37000000.0000 34200000.0000 36000000.0000 40200000.0000 74100000.0000 40900000.0000 88800000.0000 39700000.0000 25600000.0000 15600000.0000 56200000.0000 38200000.0000 27000000.0000 34200000.0000 38400000.0000 34800000.0000 Adenine N N N N N N N N N N N N N N N N Adenosine 45300000.0000 42500000.0000 28600000.0000 22600000.0000 12300000.0000 6610000.0000 12500000.0000 10500000.0000 51800000.0000 53700000.0000 50900000.0000 9460000.0000 118000000.0000 148000000.0000 92800000.0000 23200000.0000 Adenosine monophosphate 4600000.0000 11100000.0000 6750000.0000 21300000.0000 30300000.0000 21400000.0000 19800000.0000 34700000.0000 205000000.0000 70400000.0000 4470000.0000 18000000.0000 233000000.0000 17900000.0000 15400000.0000 13300000.0000 Adenosine triphosphate N N N N N N N N N N N N N N N N Adipoylcarnitine 1050000.0000 1320000.0000 1040000.0000 1090000.0000 1300000.0000 1530000.0000 3020000.0000 1590000.0000 1030000.0000 775000.0000 1250000.0000 3330000.0000 1550000.0000 3360000.0000 1210000.0000 990000.0000 Agmatine N N N N N N N N N N N N N N N N Alanine 417000000.0000 363000000.0000 335000000.0000 360000000.0000 512000000.0000 307000000.0000 541000000.0000 229000000.0000 243000000.0000 149000000.0000 546000000.0000 610000000.0000 351000000.0000 493000000.0000 532000000.0000 648000000.0000 Alpha-Tocopherol 271000.0000 150000.0000 268000.0000 477000.0000 584000.0000 450000.0000 649000.0000 521000.0000 343000.0000 206000.0000 354000.0000 523000.0000 553000.0000 231000.0000 393000.0000 429000.0000 Amphetamine 24000000.0000 20200000.0000 17400000.0000 20900000.0000 28600000.0000 24400000.0000 34200000.0000 18500000.0000 12900000.0000 10300000.0000 20800000.0000 23000000.0000 27400000.0000 27200000.0000 31000000.0000 51000000.0000 Anandamide N N N N N N N N N N N N N N N N Anserine N N N N N N N N N N N N N N N N Arachidonyl carnitine 274000.0000 304000.0000 266000.0000 341000.0000 457000.0000 392000.0000 402000.0000 529000.0000 407000.0000 226000.0000 240000.0000 744000.0000 564000.0000 228000.0000 262000.0000 601000.0000 B-Carotene 8640000.0000 6670000.0000 3020000.0000 4950000.0000 7240000.0000 17500000.0000 10700000.0000 4140000.0000 5270000.0000 6130000.0000 7700000.0000 4530000.0000 15100000.0000 9740000.0000 9170000.0000 3850000.0000 beta-Alanine 7030000.0000 7400000.0000 5390000.0000 5150000.0000 7990000.0000 8590000.0000 12200000.0000 5950000.0000 3530000.0000 3400000.0000 6370000.0000 7090000.0000 3750000.0000 3940000.0000 5230000.0000 5180000.0000 Betaine 601000000.0000 491000000.0000 444000000.0000 487000000.0000 1040000000.0000 612000000.0000 1060000000.0000 431000000.0000 296000000.0000 162000000.0000 819000000.0000 907000000.0000 421000000.0000 701000000.0000 697000000.0000 1000000000.0000 Betaine aldehyde N N N N N N N N N N N N N N N N Bilirubin N N N N N N N N N N N N N N N N Biotin 1720000.0000 1910000.0000 1420000.0000 1410000.0000 1550000.0000 1780000.0000 4350000.0000 953000.0000 757000.0000 802000.0000 2360000.0000 5200000.0000 1580000.0000 2070000.0000 1840000.0000 2300000.0000 BMP(16:0/16:0) N N N N N N N N N N N N N N N N BMP(18:1/16:0) N N N N N N N N N N N N N N N N BMP(18:1/16:1) N N N N N N N N N N N N N N N N BMP(18:1/18:0) N N N N N N N N N N N N N N N N BMP(18:1/18:1) N N N N N N N N N N N N N N N N BMP(18:1/18:2) N N N N N N N N N N N N N N N N BMP(18:1/20:4) N N N N N N N N N N N N N N N N BMP(18:1/22:5) N N N N N N N N N N N N N N N N BMP(18:1/22:6) N N N N N N N N N N N N N N N N BMP(20:4/22:6) N N N N N N N N N N N N N N N N BMP(22:5/22:6) N N N N N N N N N N N N N N N N BMP(22:6/22:6) N N N N N N N N N N N N N N N N Butyrylcarnitine 658000000.0000 581000000.0000 589000000.0000 638000000.0000 706000000.0000 773000000.0000 1650000000.0000 710000000.0000 396000000.0000 238000000.0000 909000000.0000 751000000.0000 391000000.0000 848000000.0000 695000000.0000 705000000.0000 Carnosine 7000000.0000 7310000.0000 5390000.0000 6840000.0000 10900000.0000 6850000.0000 12000000.0000 6220000.0000 3810000.0000 2070000.0000 8930000.0000 14700000.0000 6520000.0000 7990000.0000 7870000.0000 12600000.0000 Ceramide(d18:1/12:0) N N N N N N N N N N N N N N N N Ceramide(d18:1/16:0 OH) 643000.0000 671000.0000 567000.0000 689000.0000 778000.0000 843000.0000 1840000.0000 1500000.0000 750000.0000 777000.0000 368000.0000 785000.0000 1750000.0000 428000.0000 308000.0000 927000.0000 Ceramide(d18:1/16:0) 47800000.0000 55900000.0000 63300000.0000 29400000.0000 23200000.0000 21200000.0000 44300000.0000 37700000.0000 24600000.0000 40100000.0000 22600000.0000 12300000.0000 89000000.0000 16600000.0000 12800000.0000 22700000.0000 Ceramide(d18:1/16:1 OH) 977000.0000 936000.0000 1050000.0000 364000.0000 405000.0000 331000.0000 673000.0000 550000.0000 401000.0000 502000.0000 483000.0000 286000.0000 1050000.0000 419000.0000 224000.0000 395000.0000 Ceramide(d18:1/16:1) 222000.0000 293000.0000 188000.0000 363000.0000 563000.0000 433000.0000 879000.0000 651000.0000 449000.0000 316000.0000 144000.0000 351000.0000 1250000.0000 264000.0000 225000.0000 566000.0000 Ceramide(d18:1/16:2 OH) N N N N N N N N N N N N N N N N Ceramide(d18:1/16:2) N N N N N N N N N N N N N N N N Ceramide(d18:1/18:0 OH) 150000.0000 212000.0000 249000.0000 141000.0000 320000.0000 403000.0000 913000.0000 573000.0000 339000.0000 389000.0000 95300.0000 252000.0000 763000.0000 139000.0000 116000.0000 389000.0000 Ceramide(d18:1/18:0) 7860000.0000 7430000.0000 8830000.0000 4640000.0000 799000.0000 893000.0000 981000.0000 2620000.0000 3200000.0000 4590000.0000 7130000.0000 1100000.0000 4990000.0000 2570000.0000 1080000.0000 806000.0000 Ceramide(d18:1/18:1 OH) N N N N N N N N N N N N N N N N Ceramide(d18:1/18:1) 164000.0000 148000.0000 237000.0000 137000.0000 413000.0000 250000.0000 618000.0000 245000.0000 181000.0000 238000.0000 42600.0000 152000.0000 638000.0000 177000.0000 122000.0000 181000.0000 Ceramide(d18:1/18:2 OH) N N N N N N N N N N N N N N N N Ceramide(d18:1/18:2) N N N N N N N N N N N N N N N N Ceramide(d18:1/20:0 OH) N N N N N N N N N N N N N N N N Ceramide(d18:1/20:0) N N N N N N N N N N N N N N N N Ceramide(d18:1/20:1 OH) N N N N N N N N N N N N N N N N Ceramide(d18:1/20:1) N N N N N N N N N N N N N N N N Ceramide(d18:1/20:2 OH) N N N N N N N N N N N N N N N N Ceramide(d18:1/20:2) N N N N N N N N N N N N N N N N Ceramide(d18:1/22:0 OH) N N N N N N N N N N N N N N N N Ceramide(d18:1/22:0) N N N N N N N N 8150000.0000 7840000.0000 19000000.0000 8800000.0000 14100000.0000 8790000.0000 8370000.0000 8740000.0000 Ceramide(d18:1/22:1) N N N N N N N N N N N N N N N N Ceramide(d18:1/22:2 OH) N N N N N N N N N N N N N N N N Ceramide(d18:1/22:2) N N N N N N N N N N N N N N N N Ceramide(d18:1/23:0) or Ceramide(d18:1/22:1 OH) N N N N N N N N N N N N N N N N Ceramide(d18:1/24:0 OH) 54200000.0000 66100000.0000 60900000.0000 30700000.0000 4860000.0000 5250000.0000 3790000.0000 5550000.0000 8250000.0000 15500000.0000 33500000.0000 17300000.0000 25400000.0000 30000000.0000 15900000.0000 23800000.0000 Ceramide(d18:1/24:0) N N N N N N N N N N N N N N N N Ceramide(d18:1/24:1) 44800000.0000 53700000.0000 53200000.0000 31300000.0000 4790000.0000 3710000.0000 3970000.0000 6690000.0000 10600000.0000 10600000.0000 31600000.0000 12800000.0000 36300000.0000 25600000.0000 18400000.0000 21500000.0000 Ceramide(d18:1/24:2 OH) N N N N N N N N N N N N N N N N Ceramide(d18:1/24:2) N N N N N N N N N N N N N N N N Ceramide(d18:1/25:0) 2510000.0000 3120000.0000 3070000.0000 1270000.0000 72800.0000 132000.0000 208000.0000 136000.0000 321000.0000 295000.0000 1740000.0000 293000.0000 675000.0000 523000.0000 219000.0000 445000.0000 Ceramide(d18:1/26:0 OH) N N N N N N N N N N N N N N N N Ceramide(d18:1/26:0) N N N N N N N N N N N N N N N N Ceramide(d18:1/26:1 OH) N N N N N N N N N N N N N N N N Ceramide(d18:1/26:1) N N N N N N N N N N N N N N N N Ceramide(d18:1/26:2 OH) N N N N N N N N N N N N N N N N Ceramide(d18:1/26:2) N N N N N N N N N N N N N N N N Cholesterol 5590000.0000 4590000.0000 8440000.0000 1870000.0000 896000.0000 598000.0000 2450000.0000 1090000.0000 694000.0000 1090000.0000 15300000.0000 2100000.0000 1790000.0000 2370000.0000 4630000.0000 820000.0000 Choline 1280000000.0000 1250000000.0000 1320000000.0000 1540000000.0000 1760000000.0000 1540000000.0000 3360000000.0000 1580000000.0000 886000000.0000 477000000.0000 1940000000.0000 2430000000.0000 1240000000.0000 1770000000.0000 1640000000.0000 2700000000.0000 Cobalamin 242000.0000 332000.0000 263000.0000 390000.0000 303000.0000 483000.0000 888000.0000 650000.0000 353000.0000 333000.0000 259000.0000 493000.0000 640000.0000 452000.0000 414000.0000 667000.0000 Coenzyme Q10 N N N N N N N N N N N N N N N N Coenzyme Q9 N N N N N N N N N N N N N N N N CoQ10H2 N N N N N N N N N N N N N N N N CoQ9H2 N N N N N N N N N N N N N N N N Corticosterone 783000.0000 409000.0000 640000.0000 857000.0000 687000.0000 571000.0000 1140000.0000 1050000.0000 381000.0000 219000.0000 576000.0000 789000.0000 1030000.0000 963000.0000 702000.0000 1070000.0000 Cortisone 56000.0000 75500.0000 70100.0000 83600.0000 35800.0000 83600.0000 152000.0000 95500.0000 24400.0000 18600.0000 28600.0000 117000.0000 49000.0000 47200.0000 27800.0000 74900.0000 Creatinine 289000000.0000 250000000.0000 275000000.0000 263000000.0000 374000000.0000 285000000.0000 605000000.0000 225000000.0000 138000000.0000 87400000.0000 411000000.0000 190000000.0000 202000000.0000 408000000.0000 322000000.0000 184000000.0000 Cyanocobalamin 188000.0000 140000.0000 193000.0000 163000.0000 296000.0000 155000.0000 367000.0000 150000.0000 110000.0000 51300.0000 273000.0000 252000.0000 148000.0000 157000.0000 211000.0000 343000.0000 Cysteamine N N N N N N N N N N N N N N N N Cysteine 7010000.0000 6050000.0000 5010000.0000 9210000.0000 7880000.0000 4870000.0000 9850000.0000 8600000.0000 3950000.0000 1250000.0000 6090000.0000 8150000.0000 6800000.0000 5000000.0000 6720000.0000 10100000.0000 Cysteineglutathione disulfide N N N N N N N N N N N N N N N N Cytidine 23900000.0000 18700000.0000 19900000.0000 24700000.0000 4990000.0000 2360000.0000 4030000.0000 2940000.0000 1680000.0000 495000.0000 2160000.0000 1580000.0000 5950000.0000 10700000.0000 8820000.0000 9830000.0000 Cytidine monophosphate 3530000.0000 4290000.0000 2900000.0000 6680000.0000 4460000.0000 2790000.0000 3340000.0000 4060000.0000 3690000.0000 1560000.0000 2590000.0000 3540000.0000 7350000.0000 1790000.0000 2920000.0000 3620000.0000 Cytosine 6560000.0000 6630000.0000 5310000.0000 3280000.0000 15500000.0000 8390000.0000 19200000.0000 5560000.0000 2610000.0000 1490000.0000 9490000.0000 4950000.0000 2690000.0000 6940000.0000 5220000.0000 5050000.0000 Decanoylcarnitine 4490000.0000 3590000.0000 3690000.0000 3450000.0000 4250000.0000 4200000.0000 9570000.0000 3910000.0000 1610000.0000 971000.0000 5490000.0000 4330000.0000 4080000.0000 12800000.0000 9540000.0000 8970000.0000 Dehydroepiandrosterone N N N N N N N N N N N N N N N N Deoxyadenosine N N N N N N N N N N N N N N N N Deoxyadenosine monophosphate 302000.0000 345000.0000 164000.0000 528000.0000 536000.0000 759000.0000 362000.0000 743000.0000 908000.0000 227000.0000 237000.0000 392000.0000 810000.0000 88100.0000 186000.0000 182000.0000 Deoxycytidine monophosphate 103000.0000 93500.0000 60900.0000 233000.0000 165000.0000 383000.0000 313000.0000 333000.0000 103000.0000 25500.0000 47500.0000 141000.0000 229000.0000 21000.0000 44700.0000 92900.0000 Deoxyinosine monophosphate 17700000.0000 23800000.0000 28200000.0000 15000000.0000 13900000.0000 20300000.0000 58100000.0000 15100000.0000 11800000.0000 10100000.0000 19300000.0000 121000000.0000 17900000.0000 21200000.0000 23800000.0000 94300000.0000 Deoxyuridine monophosphate N N N N N N N N N N N N N N N N Desmosterol 625000.0000 279000.0000 284000.0000 518000.0000 856000.0000 588000.0000 780000.0000 866000.0000 482000.0000 302000.0000 383000.0000 847000.0000 875000.0000 492000.0000 408000.0000 674000.0000 DHC(18:1/16:0) 783000.0000 1190000.0000 1690000.0000 1070000.0000 767000.0000 1220000.0000 2920000.0000 1580000.0000 747000.0000 1590000.0000 415000.0000 939000.0000 4190000.0000 944000.0000 526000.0000 1690000.0000 DHC(18:1/22:0) N N N N N N N N N N N N N N N N DHC(18:1/24:0) N N N N N N N N N N N N N N N N DHC(18:1/24:1) N N N N N N N N N N N N N N N N Dimethylglycine 210000000.0000 188000000.0000 197000000.0000 170000000.0000 315000000.0000 234000000.0000 511000000.0000 168000000.0000 108000000.0000 71900000.0000 298000000.0000 301000000.0000 244000000.0000 265000000.0000 237000000.0000 230000000.0000 Dimethyl-L-arginine 25200000.0000 20900000.0000 23000000.0000 22700000.0000 72200000.0000 24300000.0000 48800000.0000 17300000.0000 12200000.0000 6890000.0000 41000000.0000 26100000.0000 17800000.0000 31100000.0000 30300000.0000 24900000.0000 Dodecanoylcarnitine 5300000.0000 4560000.0000 3700000.0000 4250000.0000 4280000.0000 4670000.0000 9610000.0000 4820000.0000 2180000.0000 1720000.0000 5100000.0000 3610000.0000 6710000.0000 11100000.0000 8520000.0000 9950000.0000 Dodecenoylcarnitine 1600000.0000 1510000.0000 1370000.0000 1530000.0000 1430000.0000 1340000.0000 3550000.0000 1410000.0000 550000.0000 467000.0000 1760000.0000 2900000.0000 1690000.0000 3430000.0000 2800000.0000 2610000.0000 Dopamine 7000000.0000 5730000.0000 5520000.0000 4670000.0000 7180000.0000 5400000.0000 6530000.0000 2500000.0000 1130000.0000 3480000.0000 3800000.0000 5500000.0000 4440000.0000 9800000.0000 8180000.0000 10500000.0000 Epicatechin N N N N N N N N N N N N N N N N Epinephrine N N N N N N N N N N N N N N N N Ergosterol 135000.0000 221000.0000 86700.0000 190000.0000 80400.0000 132000.0000 214000.0000 119000.0000 84300.0000 93000.0000 129000.0000 187000.0000 159000.0000 130000.0000 199000.0000 182000.0000 Estradiol N N N N N N N N N N N N N N N N Estriol N N N N N N N N N N N N N N N N Estrone N N N N N N N N N N N N N N N N Ethanolamine N N N N N N N N N N N N N N N N FMN N N N N N N N N N N N N N N N N Gamma-glutamyl-Alanine N N N N N N N N N N N N N N N N Gamma-glutamyl-Cysteine N N N N N N N N N N N N N N N N Gamma-glutamyl-Isoleucine 315000.0000 218000.0000 315000.0000 1430000.0000 1170000.0000 229000.0000 604000.0000 862000.0000 1060000.0000 153000.0000 476000.0000 564000.0000 1720000.0000 408000.0000 409000.0000 3890000.0000 Gamma-glutamyl-Valine N N N N N N N N N N N N N N N N GC(18:1/16:0) 31000000.0000 37100000.0000 52900000.0000 36700000.0000 2680000.0000 8010000.0000 7660000.0000 8900000.0000 6590000.0000 8220000.0000 4510000.0000 9460000.0000 106000000.0000 29900000.0000 13500000.0000 51900000.0000 GC(18:1/20:0) 748000.0000 851000.0000 804000.0000 267000.0000 12200.0000 32100.0000 16500.0000 7940.0000 33000.0000 9410.0000 165000.0000 94600.0000 179000.0000 369000.0000 210000.0000 261000.0000 GC(18:1/22:0) 7350000.0000 8760000.0000 7110000.0000 2730000.0000 17400.0000 17500.0000 123000.0000 32700.0000 263000.0000 361000.0000 1820000.0000 761000.0000 671000.0000 2340000.0000 1780000.0000 1980000.0000 GC(18:1/24:0) N N N N N N N N N N N N N N N N GC(18:1/24:1) 7600000.0000 10300000.0000 10300000.0000 2820000.0000 34100.0000 252000.0000 171000.0000 252000.0000 356000.0000 333000.0000 2490000.0000 972000.0000 3190000.0000 4280000.0000 1970000.0000 3820000.0000 Gluconolactone 340000.0000 314000.0000 361000.0000 363000.0000 311000.0000 364000.0000 818000.0000 360000.0000 190000.0000 143000.0000 327000.0000 23800.0000 257000.0000 267000.0000 287000.0000 560000.0000 Glucosamine N N N N N N N N N N N N N N N N Glyceraldehyde 41100000.0000 37900000.0000 36300000.0000 40900000.0000 65200000.0000 45200000.0000 83800000.0000 39000000.0000 19700000.0000 11500000.0000 47500000.0000 52900000.0000 37800000.0000 51200000.0000 55800000.0000 72300000.0000 Glycerophosphocholine 1270000000.0000 1120000000.0000 1050000000.0000 1220000000.0000 1040000000.0000 683000000.0000 1260000000.0000 595000000.0000 316000000.0000 225000000.0000 793000000.0000 794000000.0000 1160000000.0000 1370000000.0000 1390000000.0000 1530000000.0000 Glycine 1000000.0000 914000.0000 507000.0000 671000.0000 793000.0000 741000.0000 1170000.0000 620000.0000 514000.0000 410000.0000 675000.0000 631000.0000 1120000.0000 848000.0000 1160000.0000 1600000.0000 Guanosine N N N N N N N N N N N N N N N N Guanosine monophosphate 1590000.0000 1900000.0000 643000.0000 1480000.0000 816000.0000 1340000.0000 961000.0000 1460000.0000 4660000.0000 2740000.0000 961000.0000 1560000.0000 4490000.0000 527000.0000 771000.0000 693000.0000 Hexanoylcarnitine N N N N N N N N N N N N N N N N Histamine 6670000.0000 5940000.0000 7120000.0000 6700000.0000 17200000.0000 8240000.0000 18600000.0000 5530000.0000 2310000.0000 1520000.0000 9890000.0000 5540000.0000 2470000.0000 7640000.0000 6650000.0000 5430000.0000 Homocysteine N N N N N N N N N N N N N N N N Hydroxycholesterol Species 45800.0000 89200.0000 50400.0000 112000.0000 114000.0000 108000.0000 218000.0000 277000.0000 101000.0000 32800.0000 60000.0000 79700.0000 215000.0000 109000.0000 124000.0000 154000.0000 Hydroxykynurenine N N N N N N N N N N N N N N N N Hydroxyproline 217000000.0000 178000000.0000 181000000.0000 182000000.0000 441000000.0000 231000000.0000 415000000.0000 163000000.0000 111000000.0000 59800000.0000 317000000.0000 297000000.0000 153000000.0000 286000000.0000 257000000.0000 314000000.0000 Hypoxanthine 30700000.0000 24300000.0000 23700000.0000 24500000.0000 27100000.0000 14900000.0000 26500000.0000 11100000.0000 5430000.0000 3110000.0000 18200000.0000 20400000.0000 19800000.0000 36500000.0000 38100000.0000 52000000.0000 Indole 6470000.0000 5040000.0000 5370000.0000 6420000.0000 8630000.0000 5360000.0000 10900000.0000 4660000.0000 2660000.0000 253000.0000 7390000.0000 6700000.0000 4590000.0000 9070000.0000 7470000.0000 11100000.0000 Indoleacrylic acid N N N N N N N N N N N N N N N N Isovalerylcarnitine 220000000.0000 177000000.0000 181000000.0000 186000000.0000 204000000.0000 231000000.0000 529000000.0000 214000000.0000 113000000.0000 69900000.0000 300000000.0000 225000000.0000 122000000.0000 287000000.0000 196000000.0000 210000000.0000 L-Acetylcarnitine 595000000.0000 532000000.0000 457000000.0000 496000000.0000 841000000.0000 869000000.0000 1460000000.0000 675000000.0000 485000000.0000 323000000.0000 1020000000.0000 983000000.0000 369000000.0000 570000000.0000 547000000.0000 576000000.0000 Lanosterin 155000.0000 338000.0000 229000.0000 321000.0000 412000.0000 302000.0000 495000.0000 2060000.0000 204000.0000 170000.0000 346000.0000 424000.0000 361000.0000 478000.0000 354000.0000 433000.0000 L-Asparagine 34000000.0000 32000000.0000 32000000.0000 44100000.0000 81000000.0000 37900000.0000 71300000.0000 36400000.0000 26000000.0000 12500000.0000 46000000.0000 37300000.0000 45600000.0000 44000000.0000 50600000.0000 66800000.0000 Lathosterol 285000.0000 289000.0000 101000.0000 162000.0000 306000.0000 258000.0000 251000.0000 526000.0000 147000.0000 208000.0000 177000.0000 147000.0000 267000.0000 585000.0000 356000.0000 512000.0000 L-Carnitine 280000000.0000 106000000.0000 253000000.0000 277000000.0000 535000000.0000 372000000.0000 788000000.0000 334000000.0000 211000000.0000 139000000.0000 500000000.0000 264000000.0000 201000000.0000 274000000.0000 299000000.0000 213000000.0000 L-Cystathionine 336000.0000 254000.0000 220000.0000 300000.0000 534000.0000 388000.0000 637000.0000 320000.0000 196000.0000 95200.0000 405000.0000 663000.0000 263000.0000 259000.0000 265000.0000 436000.0000 L-Glutamine 253000000.0000 237000000.0000 227000000.0000 234000000.0000 481000000.0000 250000000.0000 370000000.0000 184000000.0000 180000000.0000 144000000.0000 290000000.0000 300000000.0000 290000000.0000 252000000.0000 303000000.0000 517000000.0000 L-Glutarylcarnitine N N N N N N N N N N N N N N N N L-Histidine 67900000.0000 64800000.0000 72600000.0000 92800000.0000 265000000.0000 80100000.0000 156000000.0000 61200000.0000 42400000.0000 16300000.0000 96200000.0000 45300000.0000 83100000.0000 83300000.0000 112000000.0000 76300000.0000 L-Histidinol N N N N N N N N N N N N N N N N L-Homoserine N N N N N N N N N N N N N N N N Linoleylcarnitine 3210000.0000 1880000.0000 2170000.0000 2780000.0000 703000.0000 1240000.0000 2040000.0000 1090000.0000 404000.0000 541000.0000 744000.0000 1070000.0000 3780000.0000 5590000.0000 5100000.0000 5670000.0000 L-Isoleucine 2950000000.0000 2670000000.0000 2330000000.0000 2720000000.0000 2390000000.0000 3370000000.0000 5280000000.0000 2490000000.0000 1750000000.0000 1160000000.0000 3710000000.0000 4330000000.0000 3040000000.0000 3760000000.0000 3800000000.0000 4760000000.0000 L-Kynurenine 109000.0000 49500.0000 127000.0000 108000.0000 85700.0000 120000.0000 90500.0000 87100.0000 140000.0000 108000.0000 74500.0000 212000.0000 232000.0000 102000.0000 215000.0000 193000.0000 L-Lysine 254000000.0000 235000000.0000 228000000.0000 237000000.0000 492000000.0000 255000000.0000 367000000.0000 187000000.0000 177000000.0000 136000000.0000 286000000.0000 293000000.0000 287000000.0000 254000000.0000 305000000.0000 518000000.0000 L-Methionine 507000000.0000 421000000.0000 418000000.0000 417000000.0000 731000000.0000 439000000.0000 830000000.0000 343000000.0000 206000000.0000 129000000.0000 620000000.0000 643000000.0000 360000000.0000 593000000.0000 620000000.0000 763000000.0000 L-Palmitoylcarnitine 69700000.0000 46800000.0000 47500000.0000 63100000.0000 20500000.0000 29000000.0000 45500000.0000 28200000.0000 12200000.0000 10200000.0000 18700000.0000 19400000.0000 83500000.0000 117000000.0000 97400000.0000 116000000.0000 L-Phenylalanine 645000000.0000 529000000.0000 497000000.0000 551000000.0000 811000000.0000 529000000.0000 1020000000.0000 460000000.0000 264000000.0000 153000000.0000 691000000.0000 807000000.0000 497000000.0000 770000000.0000 786000000.0000 1050000000.0000 L-Proline 897000000.0000 781000000.0000 894000000.0000 978000000.0000 1490000000.0000 766000000.0000 1640000000.0000 757000000.0000 544000000.0000 318000000.0000 1300000000.0000 1220000000.0000 742000000.0000 1040000000.0000 1100000000.0000 1120000000.0000 L-Serine 23500000.0000 20000000.0000 22900000.0000 29500000.0000 44200000.0000 22100000.0000 41300000.0000 21100000.0000 12200000.0000 5980000.0000 23700000.0000 18000000.0000 31100000.0000 26700000.0000 34200000.0000 47400000.0000 L-Tryptophan 535000000.0000 427000000.0000 450000000.0000 479000000.0000 751000000.0000 401000000.0000 849000000.0000 365000000.0000 212000000.0000 117000000.0000 597000000.0000 627000000.0000 395000000.0000 666000000.0000 643000000.0000 854000000.0000 L-Tyrosine 9400000.0000 8250000.0000 6720000.0000 7000000.0000 11700000.0000 8870000.0000 13300000.0000 6630000.0000 5080000.0000 3860000.0000 7690000.0000 10500000.0000 10800000.0000 9860000.0000 12700000.0000 19900000.0000 L-Valine 1140000000.0000 992000000.0000 890000000.0000 1000000000.0000 1500000000.0000 1090000000.0000 1850000000.0000 880000000.0000 555000000.0000 322000000.0000 1290000000.0000 1410000000.0000 1050000000.0000 1440000000.0000 1460000000.0000 1760000000.0000 LysoPC(16:0) 3180000.0000 2940000.0000 3520000.0000 4160000.0000 6330000.0000 7680000.0000 12100000.0000 7460000.0000 2720000.0000 2360000.0000 3120000.0000 3560000.0000 2160000.0000 2180000.0000 1380000.0000 1920000.0000 LysoPC(18:0) 21600.0000 65300.0000 211000.0000 501000.0000 31300.0000 252000.0000 118000.0000 338000.0000 863000.0000 1570000.0000 22500.0000 209000.0000 1560000.0000 289000.0000 18300.0000 491000.0000 Malonylcarnitine 13400000.0000 11800000.0000 10700000.0000 10500000.0000 18900000.0000 18500000.0000 39800000.0000 15100000.0000 10900000.0000 7570000.0000 28700000.0000 19300000.0000 9830000.0000 15000000.0000 12200000.0000 10200000.0000 Melatonin N N N N N N N N N N N N N N N N Metanephrine 23300000.0000 21100000.0000 10100000.0000 15800000.0000 7860000.0000 20500000.0000 26400000.0000 18100000.0000 9300000.0000 6360000.0000 24300000.0000 27300000.0000 15200000.0000 23600000.0000 28000000.0000 23700000.0000 Methionine sulfoxide 137000.0000 94400.0000 75000.0000 94700.0000 173000.0000 90300.0000 243000.0000 105000.0000 46200.0000 32300.0000 89000.0000 182000.0000 101000.0000 164000.0000 156000.0000 256000.0000 Methylcobalamin N N N N N N N N N N N N N N N N Methylcysteine 4500000.0000 3600000.0000 3210000.0000 3710000.0000 6210000.0000 4670000.0000 6800000.0000 3140000.0000 2580000.0000 1730000.0000 4800000.0000 5050000.0000 4550000.0000 4760000.0000 5750000.0000 7980000.0000 Myristoylcarnitine 15500000.0000 12000000.0000 11400000.0000 14100000.0000 6740000.0000 9490000.0000 16300000.0000 8790000.0000 4470000.0000 3770000.0000 6130000.0000 4830000.0000 20700000.0000 24800000.0000 19700000.0000 22000000.0000 N-Acetylornithine N N N N N N N N N N N N N N N N N-acetylputrescine N N N N N N N N N N N N N N N N N-acetylserine 6050000.0000 9920000.0000 10700000.0000 17900000.0000 10500000.0000 17500000.0000 48900000.0000 28600000.0000 17500000.0000 9480000.0000 12000000.0000 13000000.0000 7580000.0000 5160000.0000 6570000.0000 18900000.0000 Niacinamide 681000000.0000 592000000.0000 698000000.0000 868000000.0000 944000000.0000 979000000.0000 1370000000.0000 1010000000.0000 591000000.0000 322000000.0000 1020000000.0000 1130000000.0000 896000000.0000 1350000000.0000 1120000000.0000 1590000000.0000 Nicotinamide N-oxide N N N N N N N N N N N N N N N N Norepinephrine 150000.0000 156000.0000 89700.0000 182000.0000 163000.0000 150000.0000 397000.0000 228000.0000 193000.0000 150000.0000 241000.0000 437000.0000 256000.0000 263000.0000 259000.0000 623000.0000 Normetanephrine N N N N N N N N N N N N N N N N O-acetylserine N N N N N N N N N N N N N N N N Octadecanoylcarnitine 74400000.0000 48400000.0000 45500000.0000 59900000.0000 13500000.0000 19900000.0000 29000000.0000 17100000.0000 7880000.0000 7220000.0000 9280000.0000 12200000.0000 128000000.0000 137000000.0000 135000000.0000 157000000.0000 Octanoylcarnitine 6090000.0000 5380000.0000 4990000.0000 6080000.0000 5550000.0000 6230000.0000 13900000.0000 5310000.0000 2850000.0000 1750000.0000 7110000.0000 5520000.0000 6950000.0000 14900000.0000 10800000.0000 9030000.0000 Oleoylcarnitine 78500000.0000 45800000.0000 52300000.0000 56900000.0000 11800000.0000 18300000.0000 27500000.0000 16900000.0000 6690000.0000 6000000.0000 11900000.0000 11500000.0000 75700000.0000 118000000.0000 111000000.0000 116000000.0000 O-Phosphoethanolamine 251000.0000 277000.0000 325000.0000 579000.0000 545000.0000 493000.0000 476000.0000 382000.0000 N N N N N N N N O-Phosphotyrosine 357000.0000 367000.0000 422000.0000 382000.0000 396000.0000 402000.0000 898000.0000 362000.0000 281000.0000 123000.0000 310000.0000 1060000.0000 313000.0000 352000.0000 412000.0000 861000.0000 Ornithine 2710000.0000 2450000.0000 2600000.0000 3290000.0000 5190000.0000 2570000.0000 6060000.0000 2630000.0000 1750000.0000 874000.0000 4090000.0000 5040000.0000 2740000.0000 3260000.0000 3550000.0000 5340000.0000 O-succinylcarnitine 10600000.0000 9830000.0000 8500000.0000 8950000.0000 17000000.0000 15400000.0000 33000000.0000 13000000.0000 7960000.0000 5200000.0000 20400000.0000 13900000.0000 7020000.0000 12000000.0000 11000000.0000 8870000.0000 PC(16:0/16:0) 65000000.0000 74200000.0000 88500000.0000 67200000.0000 97000000.0000 167000000.0000 288000000.0000 184000000.0000 110000000.0000 136000000.0000 57300000.0000 113000000.0000 234000000.0000 67800000.0000 51200000.0000 127000000.0000 PC(16:0/18:1) 64300000.0000 70700000.0000 93100000.0000 96900000.0000 187000000.0000 273000000.0000 540000000.0000 293000000.0000 162000000.0000 191000000.0000 36100000.0000 165000000.0000 397000000.0000 91600000.0000 69000000.0000 230000000.0000 PC(16:0/18:2) 17200000.0000 19400000.0000 15400000.0000 25900000.0000 33700000.0000 53700000.0000 93000000.0000 54000000.0000 29300000.0000 31300000.0000 7960000.0000 40000000.0000 62600000.0000 26200000.0000 27300000.0000 53000000.0000 PC(16:0/20:4) 8650000.0000 9120000.0000 7120000.0000 11800000.0000 18000000.0000 30300000.0000 45900000.0000 26900000.0000 13000000.0000 14800000.0000 3770000.0000 17100000.0000 47200000.0000 22700000.0000 18500000.0000 37200000.0000 PC(16:0/22:6) 12000000.0000 10400000.0000 8320000.0000 13700000.0000 22100000.0000 37800000.0000 43600000.0000 28600000.0000 15800000.0000 15400000.0000 5540000.0000 19100000.0000 40100000.0000 19300000.0000 19700000.0000 29300000.0000 PC(18:0/18:2) N N N N N N N N N N N N N N N N PC(18:0/20:3) N N N N N N N N N N N N N N N N PC(18:1/18:1) 17700000.0000 19300000.0000 19800000.0000 22300000.0000 35700000.0000 54200000.0000 94000000.0000 50100000.0000 29300000.0000 31800000.0000 9710000.0000 36400000.0000 73000000.0000 23900000.0000 21300000.0000 46000000.0000 PC(18:3/22:4) 38300000.0000 37200000.0000 27800000.0000 43000000.0000 64800000.0000 104000000.0000 118000000.0000 93800000.0000 55000000.0000 41900000.0000 16800000.0000 62100000.0000 127000000.0000 60200000.0000 55400000.0000 84600000.0000 PC(20:4/P-16:0) 6940000.0000 6740000.0000 5410000.0000 8770000.0000 10200000.0000 13900000.0000 22700000.0000 14300000.0000 5070000.0000 4580000.0000 1930000.0000 7480000.0000 47800000.0000 19000000.0000 16700000.0000 34500000.0000 PC(20:5/P-16:0) 2270000.0000 1890000.0000 1510000.0000 3020000.0000 3700000.0000 5220000.0000 9300000.0000 5250000.0000 2300000.0000 2280000.0000 838000.0000 3550000.0000 11600000.0000 4490000.0000 4880000.0000 9130000.0000 PC(22:0) N N N N N N N N N N N N N N N N PC(22:1) 144000.0000 165000.0000 124000.0000 111000.0000 62600.0000 160000.0000 406000.0000 126000.0000 75500.0000 104000.0000 178000.0000 188000.0000 87600.0000 188000.0000 105000.0000 120000.0000 PC(22:6/P-18:0) 4400000.0000 4210000.0000 3520000.0000 5080000.0000 6650000.0000 9390000.0000 15200000.0000 8960000.0000 5640000.0000 4840000.0000 2980000.0000 9850000.0000 11000000.0000 5030000.0000 5020000.0000 11200000.0000 PC(24:0) N N N N N N N N N N N N N N N N PC(24:0/P-18:0) 4000000.0000 3390000.0000 2770000.0000 4940000.0000 8610000.0000 14500000.0000 14700000.0000 13800000.0000 7680000.0000 6120000.0000 2410000.0000 7860000.0000 13600000.0000 5530000.0000 6350000.0000 7950000.0000 PC(24:1) N N N N N N N N N N N N N N N N PC(26:0) 494000.0000 401000.0000 360000.0000 445000.0000 719000.0000 1150000.0000 1680000.0000 1050000.0000 954000.0000 738000.0000 664000.0000 1660000.0000 562000.0000 898000.0000 512000.0000 919000.0000 PC(26:1) 497000.0000 495000.0000 496000.0000 762000.0000 1200000.0000 1320000.0000 2700000.0000 1520000.0000 1060000.0000 850000.0000 409000.0000 1120000.0000 1690000.0000 942000.0000 851000.0000 1490000.0000 PC(28:0) 11200000.0000 11900000.0000 10400000.0000 16200000.0000 27600000.0000 37200000.0000 72100000.0000 40800000.0000 24900000.0000 24300000.0000 5970000.0000 31000000.0000 27300000.0000 12900000.0000 10200000.0000 22200000.0000 PC(28:1) 9420000.0000 11500000.0000 9970000.0000 18600000.0000 41100000.0000 49200000.0000 106000000.0000 53200000.0000 32800000.0000 37700000.0000 5330000.0000 30300000.0000 57000000.0000 18300000.0000 17700000.0000 33300000.0000 PC(28:2) 1470000.0000 1320000.0000 1120000.0000 2130000.0000 3640000.0000 3540000.0000 7460000.0000 3620000.0000 2580000.0000 2080000.0000 1090000.0000 3740000.0000 2640000.0000 1860000.0000 1780000.0000 3240000.0000 PC(30:0) 45700000.0000 50600000.0000 55100000.0000 65900000.0000 135000000.0000 197000000.0000 393000000.0000 216000000.0000 121000000.0000 132000000.0000 27400000.0000 126000000.0000 199000000.0000 52300000.0000 44900000.0000 116000000.0000 PC(30:1) 13900000.0000 15700000.0000 9390000.0000 18700000.0000 23200000.0000 34400000.0000 57900000.0000 34500000.0000 20600000.0000 18100000.0000 6660000.0000 28900000.0000 29900000.0000 16700000.0000 17800000.0000 30700000.0000 PC(30:2) 21900000.0000 24700000.0000 15400000.0000 32500000.0000 79700000.0000 111000000.0000 139000000.0000 57500000.0000 59700000.0000 72300000.0000 11800000.0000 55200000.0000 79200000.0000 29000000.0000 31700000.0000 37600000.0000 PC(32:1) 33300000.0000 36700000.0000 32400000.0000 51000000.0000 72700000.0000 99700000.0000 194000000.0000 107000000.0000 66900000.0000 65700000.0000 15400000.0000 78300000.0000 127000000.0000 47700000.0000 44100000.0000 95500000.0000 PC(32:2) 49600000.0000 55400000.0000 37700000.0000 66000000.0000 75000000.0000 93800000.0000 187000000.0000 104000000.0000 63900000.0000 55600000.0000 18700000.0000 84200000.0000 107000000.0000 62500000.0000 66900000.0000 103000000.0000 PC(34:1) 91700000.0000 102000000.0000 122000000.0000 135000000.0000 258000000.0000 352000000.0000 700000000.0000 378000000.0000 218000000.0000 244000000.0000 52200000.0000 225000000.0000 562000000.0000 125000000.0000 97000000.0000 318000000.0000 PC(34:2) N N N N N N N N N N N N N N N N PC(36:0) 3200000.0000 3610000.0000 2460000.0000 4890000.0000 8330000.0000 6920000.0000 15300000.0000 9360000.0000 4190000.0000 9500000.0000 1930000.0000 9870000.0000 16700000.0000 7420000.0000 5580000.0000 17400000.0000 PC(36:1) 32400000.0000 27400000.0000 57200000.0000 38000000.0000 76900000.0000 107000000.0000 226000000.0000 114000000.0000 61600000.0000 85700000.0000 21600000.0000 59700000.0000 202000000.0000 36900000.0000 26900000.0000 83100000.0000 PC(38:5) 53800000.0000 51700000.0000 40000000.0000 71600000.0000 97500000.0000 150000000.0000 233000000.0000 147000000.0000 72900000.0000 74000000.0000 21400000.0000 93600000.0000 225000000.0000 103000000.0000 90900000.0000 172000000.0000 PC(40:6) 20900000.0000 20800000.0000 17400000.0000 26000000.0000 44700000.0000 63500000.0000 107000000.0000 64200000.0000 39900000.0000 35800000.0000 14800000.0000 50400000.0000 83500000.0000 31100000.0000 31100000.0000 58900000.0000 PG(16:0/16:0) N N N N N N N N N N N N N N N N PG(18:0/18:0) N N N N N N N N N N N N N N N N PG(32:1) 734000.0000 789000.0000 997000.0000 1470000.0000 1210000.0000 1010000.0000 1500000.0000 2280000.0000 N N N N N N N N PG(32:2) N N N N N N N N N N N N N N N N PG(34:1) 3070000.0000 4080000.0000 3650000.0000 4730000.0000 15900000.0000 12200000.0000 35600000.0000 20300000.0000 13900000.0000 16700000.0000 12900000.0000 8130000.0000 27100000.0000 1320000.0000 2330000.0000 7210000.0000 PG(34:2) 1030000.0000 1400000.0000 739000.0000 1090000.0000 1390000.0000 1440000.0000 4480000.0000 1870000.0000 1810000.0000 1220000.0000 172000.0000 944000.0000 6550000.0000 1080000.0000 826000.0000 1980000.0000 PG(36:1) N N N N N N N N N N N N N N N N PG(36:2) N N N N N N N N N N N N N N N N PG(36:3) N N N N N N N N N N N N N N N N PG(38:4) N N N N N N N N N N N N N N N N PG(40:8) 68700.0000 62300.0000 50800.0000 55900.0000 84400.0000 230000.0000 432000.0000 206000.0000 72000.0000 164000.0000 27000.0000 157000.0000 172000.0000 88200.0000 95900.0000 296000.0000 PG(44:12) 418000.0000 444000.0000 305000.0000 541000.0000 893000.0000 2810000.0000 4310000.0000 2400000.0000 1130000.0000 1780000.0000 309000.0000 2110000.0000 1350000.0000 818000.0000 672000.0000 1460000.0000 Phosphorylcholine 86600000.0000 81100000.0000 60700000.0000 93400000.0000 159000000.0000 111000000.0000 171000000.0000 93400000.0000 30900000.0000 14600000.0000 74000000.0000 111000000.0000 33000000.0000 37600000.0000 47600000.0000 64900000.0000 Pimelylcarnitine N N N N N N N N N N N N N N N N Propionylcarnitine 322000000.0000 278000000.0000 272000000.0000 265000000.0000 407000000.0000 379000000.0000 733000000.0000 302000000.0000 168000000.0000 107000000.0000 480000000.0000 376000000.0000 167000000.0000 363000000.0000 319000000.0000 318000000.0000 Purine 6500000.0000 5750000.0000 5380000.0000 5790000.0000 7980000.0000 5610000.0000 11200000.0000 4700000.0000 2580000.0000 1430000.0000 7110000.0000 7210000.0000 4880000.0000 8830000.0000 7980000.0000 10900000.0000 Pyridoxal N N N N N N N N N N N N N N N N Pyridoxine N N N N N N N N 261000000.0000 158000000.0000 760000000.0000 383000000.0000 356000000.0000 455000000.0000 593000000.0000 416000000.0000 Retinal 659000.0000 803000.0000 588000.0000 571000.0000 947000.0000 639000.0000 1190000.0000 835000.0000 565000.0000 249000.0000 525000.0000 1210000.0000 1070000.0000 1130000.0000 904000.0000 1470000.0000 Retinol 3500000.0000 4060000.0000 2600000.0000 4020000.0000 4000000.0000 3230000.0000 5540000.0000 4100000.0000 2960000.0000 1580000.0000 3330000.0000 6140000.0000 4730000.0000 6710000.0000 5770000.0000 8170000.0000 Saccharopine N N N N N N N N N N N N N N N N S-Adenosylhomocysteine 934000.0000 780000.0000 435000.0000 717000.0000 470000.0000 360000.0000 483000.0000 498000.0000 1250000.0000 735000.0000 1090000.0000 889000.0000 899000.0000 360000.0000 630000.0000 667000.0000 S-Adenosylmethionine N N N N N N N N N N N N N N N N Sarcosine 455000000.0000 401000000.0000 385000000.0000 403000000.0000 573000000.0000 333000000.0000 606000000.0000 257000000.0000 272000000.0000 163000000.0000 619000000.0000 674000000.0000 396000000.0000 519000000.0000 577000000.0000 730000000.0000 Serotonin 41300000.0000 38400000.0000 58500000.0000 60400000.0000 87800000.0000 44600000.0000 114000000.0000 46200000.0000 58400000.0000 28900000.0000 138000000.0000 75000000.0000 73000000.0000 126000000.0000 115000000.0000 76300000.0000 Suberylcarnitine N N N N N N N N N N N N N N N N Testosterone N N N N N N N N N N N N N N N N Tetradecanoylcarnitine 17700000.0000 13200000.0000 13100000.0000 14600000.0000 7400000.0000 10200000.0000 18000000.0000 10200000.0000 4730000.0000 4010000.0000 7170000.0000 6060000.0000 21700000.0000 29400000.0000 21000000.0000 23300000.0000 Tetrahydrobiopterin N N N N N N N N N N N N N N N N THC 18:1/16:0 1680000.0000 3050000.0000 3470000.0000 2210000.0000 1360000.0000 2970000.0000 5750000.0000 4380000.0000 2640000.0000 3610000.0000 1170000.0000 2020000.0000 7530000.0000 981000.0000 785000.0000 2360000.0000 THC 18:1/18:0 70300.0000 152000.0000 122000.0000 47200.0000 7870.0000 49800.0000 124000.0000 84000.0000 55700.0000 75000.0000 72800.0000 20900.0000 124000.0000 30200.0000 15800.0000 23100.0000 THC 18:1/24:1 N N N N N N N N N N N N N N N N Thiamine N N N N N N N N N N N N N N N N Thiamine monophosphate N N N N N N N N N N N N N N N N Thymidine 17200000.0000 18300000.0000 16600000.0000 16600000.0000 9150000.0000 7160000.0000 13600000.0000 6720000.0000 1150000.0000 6040000.0000 7350000.0000 9610000.0000 5350000.0000 19900000.0000 14000000.0000 18100000.0000 Thymine N N N N N N N N N N N N N N N N Tiglylcarnitine N N N N N N N N N N N N N N N N Tiglylglycine N N N N N N N N N N N N N N N N Trimethylamine-N-oxide 4720000.0000 3890000.0000 3530000.0000 3460000.0000 5510000.0000 4680000.0000 8750000.0000 3290000.0000 1980000.0000 1380000.0000 6460000.0000 8130000.0000 2280000.0000 5380000.0000 5100000.0000 8510000.0000 Tyramine 3250000.0000 2130000.0000 1560000.0000 2800000.0000 1890000.0000 2610000.0000 3540000.0000 4070000.0000 2610000.0000 1370000.0000 3150000.0000 5110000.0000 3990000.0000 2990000.0000 2520000.0000 6560000.0000 Urea 143000000.0000 128000000.0000 126000000.0000 161000000.0000 140000000.0000 124000000.0000 254000000.0000 175000000.0000 101000000.0000 49000000.0000 201000000.0000 248000000.0000 142000000.0000 201000000.0000 194000000.0000 216000000.0000 Ureidopropionic acid 863000.0000 748000.0000 488000.0000 1350000.0000 894000.0000 807000.0000 2960000.0000 1450000.0000 1700000.0000 485000.0000 710000.0000 2070000.0000 1460000.0000 869000.0000 832000.0000 986000.0000 Uridine 5-monophosphate 4160000.0000 4060000.0000 3100000.0000 3520000.0000 2860000.0000 3310000.0000 6630000.0000 3130000.0000 6920000.0000 5800000.0000 4280000.0000 9000000.0000 7460000.0000 3720000.0000 5350000.0000 7100000.0000 Vitamin D3 2570000.0000 3310000.0000 1470000.0000 4580000.0000 4590000.0000 2730000.0000 4570000.0000 4250000.0000 3270000.0000 1810000.0000 2680000.0000 6050000.0000 6630000.0000 4080000.0000 3530000.0000 5720000.0000 Vitamin K2 1550000.0000 1160000.0000 1430000.0000 1680000.0000 2740000.0000 2080000.0000 2750000.0000 2100000.0000 1330000.0000 764000.0000 1260000.0000 1970000.0000 2650000.0000 1580000.0000 1510000.0000 2090000.0000 Zymosterol 691000.0000 899000.0000 781000.0000 1230000.0000 1460000.0000 637000.0000 1650000.0000 1050000.0000 700000.0000 377000.0000 869000.0000 1580000.0000 2350000.0000 1170000.0000 841000.0000 2000000.0000 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name retention index quantified m/z PubChem ID KEGG ID 1-Methyladenosine 27476 C02494 1-Methylhistamine 3614 C05127 1-Methylhistidine 92105 C01152 1-Methylnicotinamide 457 C02918 1-Pyrroline-5-carboxylic acid 1196 C04322 24,25-Dihydrolanosterol 440560 C05109 24,25-Epoxycholesterol 2-Arachidonylglycerol 5282280 C13856 2-Deoxyguanosine 5-monophosphate 65040 C02376 2-Octenoylcarnitine 53481667 3, 5-Tetradecadiencarnitine 53481681 3,3,5-Triiodothyronine 5920 C02465 3-Hydroxyanthranilic acid 86 C00632 3-Hydroxy-cis-5-tetradecenoylcarnitine 53481679 3-Hydroxydodecanoylcarnitine 3-Hydroxyhexadecanoylcarnitine 53481691 3-Hydroxyhexadecenoylcarnitine 53481685 3-Hydroxyhexanoylcarnitine 3-Hydroxyiso-/butyrylcarnitine 3-Hydroxyisovaleryl Carnitine 3-Hydroxylinoleylcarnitine 3-Hydroxyoleoylcarnitine 5,6-trans-25-Hydroxyvitamin D3 53477885 5alpha-Cholestanol 6665 5-Methylthioadenosine 439176 C00170 7a-Hydroxycholesterol 53477732 C03594 7-Dehydrocholesterol 439423 C01164 7-ketocholesterol 53477696 7-Methylguanosine 445404 9-Decenoylcarnitine 53481651 9-Hexadecenoylcarnitine 53481653 Acetylcholine 187 C01996 Adenine 190 C00147 Adenosine 60961 C00212 Adenosine monophosphate 6083 C00020 Adenosine triphosphate 5957 C00002 Adipoylcarnitine Agmatine 199 C00179 Alanine 5950 C00041 Alpha-Tocopherol 14985 C02477 Amphetamine 3007 Anandamide 5281969 C11695 Anserine 112072 C01262 Arachidonyl carnitine 53477832 B-Carotene 5280489 C02094 beta-Alanine 239 C00099 Betaine 247 C00719 Betaine aldehyde 249 C00576 Bilirubin 5280352 C00486 Biotin 171548 C00120 BMP(16:0/16:0) BMP(18:1/16:0) BMP(18:1/16:1) BMP(18:1/18:0) BMP(18:1/18:1) BMP(18:1/18:2) BMP(18:1/20:4) BMP(18:1/22:5) BMP(18:1/22:6) BMP(20:4/22:6) BMP(22:5/22:6) BMP(22:6/22:6) Butyrylcarnitine 439829 C02862 Carnosine 439224 C00386 Ceramide(d18:1/12:0) 5283562 C00195 Ceramide(d18:1/16:0 OH) Ceramide(d18:1/16:0) 5283564 C00195 Ceramide(d18:1/16:1 OH) Ceramide(d18:1/16:1) Ceramide(d18:1/16:2 OH) Ceramide(d18:1/16:2) Ceramide(d18:1/18:0 OH) Ceramide(d18:1/18:0) 5283565 C00195 Ceramide(d18:1/18:1 OH) Ceramide(d18:1/18:1) 5283563 C00195 Ceramide(d18:1/18:2 OH) Ceramide(d18:1/18:2) Ceramide(d18:1/20:0 OH) Ceramide(d18:1/20:0) 5283566 C00195 Ceramide(d18:1/20:1 OH) Ceramide(d18:1/20:1) Ceramide(d18:1/20:2 OH) Ceramide(d18:1/20:2) Ceramide(d18:1/22:0 OH) Ceramide(d18:1/22:0) 5283567 C00195 Ceramide(d18:1/22:1) Ceramide(d18:1/22:2 OH) Ceramide(d18:1/22:2) Ceramide(d18:1/23:0) or Ceramide(d18:1/22:1 OH) Ceramide(d18:1/24:0 OH) Ceramide(d18:1/24:0) 5283571 C00195 Ceramide(d18:1/24:1) 5283568 C00195 Ceramide(d18:1/24:2 OH) Ceramide(d18:1/24:2) Ceramide(d18:1/25:0) 9547202 C00195 Ceramide(d18:1/26:0 OH) Ceramide(d18:1/26:0) 5283570 C00195 Ceramide(d18:1/26:1 OH) Ceramide(d18:1/26:1) Ceramide(d18:1/26:2 OH) Ceramide(d18:1/26:2) Cholesterol 11025495 C00187 Choline 305 C00114 Cobalamin 6438156 C05776 Coenzyme Q10 5281915 C11378 Coenzyme Q9 5280473 C01967 CoQ10H2 9962735 CoQ9H2 5154674 Corticosterone 5753 C02140 Cortisone 222786 C00762 Creatinine 588 C00791 Cyanocobalamin C02823 Cysteamine 6058 C01678 Cysteine 5862 C00097 Cysteineglutathione disulfide 53477713 Cytidine 6175 C00475 Cytidine monophosphate 6131 C00055 Cytosine 597 C00380 Decanoylcarnitine 10245190 Dehydroepiandrosterone 9860744 C01227 Deoxyadenosine 13730 C00559 Deoxyadenosine monophosphate 12599 C00360 Deoxycytidine monophosphate 13945 C00239 Deoxyinosine monophosphate 91531 C06196 Deoxyuridine monophosphate 65063 C00365 Desmosterol 439577 C01802 DHC(18:1/16:0) DHC(18:1/22:0) DHC(18:1/24:0) DHC(18:1/24:1) Dimethylglycine 673 C01026 Dimethyl-L-arginine 123831 C03626 Dodecanoylcarnitine 168381 Dodecenoylcarnitine 53481671 N/A Dopamine 681 C03758 Epicatechin 72276 C09727 Epinephrine 5816 C00788 Ergosterol 21775588 C01694 Estradiol 5757 C00951 Estriol 5756 C05141 Estrone 5870 C00468 Ethanolamine 700 C00189 FMN 643976 C00061 Gamma-glutamyl-Alanine 440021 C03460 Gamma-glutamyl-Cysteine 123831 C03626 Gamma-glutamyl-Isoleucine 11469098 Gamma-glutamyl-Valine 5315472 GC(18:1/16:0) GC(18:1/20:0) GC(18:1/22:0) GC(18:1/24:0) GC(18:1/24:1) Gluconolactone 7027 C00198 Glucosamine 439213 C00329 Glyceraldehyde 751 C02154 Glycerophosphocholine 71920 C00670 Glycine 750 C00037 Guanosine 6802 C00387 Guanosine monophosphate 6804 C00144 Hexanoylcarnitine 6426853 Histamine 774 C00388 Homocysteine 778 C05330 Hydroxycholesterol Species Hydroxykynurenine 89 C02794 Hydroxyproline 5810 C01157 Hypoxanthine 790 C00262 Indole 798 C00463 Indoleacrylic acid 15030923 C00331 Isovalerylcarnitine 6426851 L-Acetylcarnitine 1 C02571 Lanosterin 246983 C01724 L-Asparagine 6267 C00152 Lathosterol 65728 C01189 L-Carnitine 2724480 C15025 L-Cystathionine 439258 C02291 L-Glutamine 5961 C00064 L-Glutarylcarnitine 53481622 N/A L-Histidine 6274 C00135 L-Histidinol 165271 C00860 L-Homoserine 12647 C00263 Linoleylcarnitine 6437058 L-Isoleucine 6306 C00407 L-Kynurenine 161166 C00328 L-Lysine 5962 C00047 L-Methionine 6137 C00073 L-Palmitoylcarnitine 11953816 C02990 L-Phenylalanine 6140 C00079 L-Proline 145742 C00148 L-Serine 5951 C00065 L-Tryptophan 6305 C00078 L-Tyrosine 6057 C00082 L-Valine 6287 C00183 LysoPC(16:0) 460602 C04230 LysoPC(18:0) 497299 C04230 Malonylcarnitine 22833583 Melatonin 896 C01598 Metanephrine 21100 C05588 Methionine sulfoxide 847 Methylcobalamin C06453 Methylcysteine 24417 Myristoylcarnitine 53477791 N-Acetylornithine 439232 C00437 N-acetylputrescine 122356 C02714 N-acetylserine 65249 Niacinamide 936 C00153 Nicotinamide N-oxide 72661 Norepinephrine 439260 C00547 Normetanephrine 1237 C05589 O-acetylserine 99478 C00979 Octadecanoylcarnitine 6426855 Octanoylcarnitine 11953814 C02838 Oleoylcarnitine 53477789 O-Phosphoethanolamine 1015 C00346 O-Phosphotyrosine 30819 C06501 Ornithine 6262 C00077 O-succinylcarnitine 25245972 PC(16:0/16:0) 452110 C00157 PC(16:0/18:1) 5497103 C00157 PC(16:0/18:2) 5287971 C00157 PC(16:0/20:4) 10747814 C00157 PC(16:0/22:6) 6441886 C00157 PC(18:0/18:2) 6441487 C00157 PC(18:0/20:3) 24778855 C00157 PC(18:1/18:1) 24778895 C00157 PC(18:3/22:4) 52922817 C00157 PC(20:4/P-16:0) 24779388 N/A PC(20:5/P-16:0) 52923910 N/A PC(22:0) PC(22:1) PC(22:6/P-18:0) PC(24:0) PC(24:0/P-18:0) 53479481 C00157 PC(24:1) PC(26:0) PC(26:1) PC(28:0) 5459377 C00157 PC(28:1) 52922210 C00157 PC(28:2) 24778648 C00157 PC(30:0) 129657 C00157 PC(30:1) 24778615 C00157 PC(30:2) 52922252 C00157 PC(32:1) 6443788 C00157 PC(32:2) 24778624 C00157 PC(34:1) 5497103 C00157 PC(34:2) 5287971 C00157 PC(36:0) 94190 C00157 PC(36:1) 24778815 C00157 PC(38:5) 24778735 C00157 PC(40:6) 24778876 C00157 PG(16:0/16:0) 446440 PG(18:0/18:0) 24779552 PG(32:1) 52926472 PG(32:2) 52927230 PG(34:1) 5289145 PG(34:2) 52927142 PG(36:1) 24779551 PG(36:2) 52927141 PG(36:3) 52926580 PG(38:4) 24779553 PG(40:8) 52926310 PG(44:12) Phosphorylcholine 1014 C00588 Pimelylcarnitine 53481675 Propionylcarnitine 107738 C03017 Purine 1044 C15587 Pyridoxal 1050 C00250 Pyridoxine 1054 C00314 Retinal 638015 C00376 Retinol 445354 C00473 Saccharopine 160556 C00449 S-Adenosylhomocysteine 439155 C00021 S-Adenosylmethionine 16757548 C00019 Sarcosine 1088 C00213 Serotonin 5202 C00780 Suberylcarnitine Testosterone 6013 C00535 Tetradecanoylcarnitine 53477791 Tetrahydrobiopterin 1125 C00272 THC 18:1/16:0 THC 18:1/18:0 THC 18:1/24:1 Thiamine 1130 C00378 Thiamine monophosphate 3382778 C01081 Thymidine 5789 C00214 Thymine 1135 C00178 Tiglylcarnitine 22833596 Tiglylglycine 6441567 Trimethylamine-N-oxide 1145 C01104 Tyramine 5610 C00483 Urea 1176 C00086 Ureidopropionic acid 111 C02642 Uridine 5-monophosphate 6030 C00105 Vitamin D3 10883523 C05443 Vitamin K2 5283547 C00828 Zymosterol 92746 C05437 METABOLITES_END #END