metabolite_name 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 11(R)-HETE 72300.0000 56800.0000 38200.0000 243000.0000 51800.0000 68800.0000 93600.0000 205000.0000 244000.0000 60000.0000 39500.0000 416000.0000 459000.0000 65100.0000 44800.0000 79400.0000 11,12-DiHETrE 50100.0000 23000.0000 11100.0000 68300.0000 34300.0000 10400.0000 38500.0000 49100.0000 45200.0000 7770.0000 20200.0000 83100.0000 54800.0000 11100.0000 15300.0000 53900.0000 12-HETE \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N 13,14-Dihydro-15-keto PGF2a \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N 13S-hydroxyoctadecadienoic acid 229000.0000 165000.0000 179000.0000 194000.0000 402000.0000 180000.0000 523000.0000 368000.0000 21600.0000 86900.0000 175000.0000 94400.0000 465000.0000 428000.0000 309000.0000 659000.0000 14,15-DHET \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N 15(S)-HETE \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N 20-Hydroxyeicosatetraenoic acid \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N 2-Aminoisobutyric acid 1050000.0000 1240000.0000 741000.0000 951000.0000 1910000.0000 1090000.0000 2210000.0000 975000.0000 731000.0000 595000.0000 781000.0000 1330000.0000 2180000.0000 1610000.0000 4070000.0000 3020000.0000 2-deoxyglucose-6-phosphate 89800.0000 166000.0000 82600.0000 149000.0000 183000.0000 153000.0000 241000.0000 178000.0000 77800.0000 34900.0000 142000.0000 413000.0000 125000.0000 105000.0000 204000.0000 224000.0000 2-Deoxyinosine triphosphate \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N 2-Hydroxy-3-methylbutyric acid \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N 2-Hydroxyglutarate 8140000.0000 8820000.0000 6360000.0000 6220000.0000 6910000.0000 7470000.0000 15400000.0000 7370000.0000 4350000.0000 2540000.0000 8370000.0000 14500000.0000 5840000.0000 5200000.0000 7760000.0000 12800000.0000 2-Isopropylmalic acid 598000.0000 553000.0000 414000.0000 3650000.0000 667000.0000 586000.0000 949000.0000 4170000.0000 4680000.0000 201000.0000 690000.0000 2150000.0000 7350000.0000 416000.0000 738000.0000 2210000.0000 2-Ketohexanoic acid \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N 2-Keto-L-gluconate 2090000.0000 2330000.0000 2100000.0000 2310000.0000 2470000.0000 2550000.0000 5270000.0000 2090000.0000 1380000.0000 769000.0000 2870000.0000 1670000.0000 1540000.0000 2440000.0000 2590000.0000 4550000.0000 2-Methylcitric acid 3370000.0000 3200000.0000 2560000.0000 2810000.0000 2770000.0000 2530000.0000 5500000.0000 2800000.0000 2090000.0000 821000.0000 3750000.0000 6040000.0000 3320000.0000 2080000.0000 4390000.0000 6480000.0000 2-Oxo-4-methylthiobutanoic acid \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N 2-Pyrocatechuic acid \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N 3-methylphenylacetic acid \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N 3-Methylthiopropionic acid \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N 3-Phosphoglyceric acid \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N 4-Hydroxybenzoic acid 6090000.0000 5000000.0000 4400000.0000 2990000.0000 5680000.0000 5030000.0000 8980000.0000 2600000.0000 1890000.0000 1400000.0000 5790000.0000 9040000.0000 2010000.0000 4510000.0000 6540000.0000 9230000.0000 4-Hydroxynonenal \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N 4-Hydroxyphenyllactic acid 4510000.0000 3200000.0000 3390000.0000 3180000.0000 3290000.0000 2520000.0000 3730000.0000 1470000.0000 657000.0000 429000.0000 2630000.0000 2810000.0000 2400000.0000 5960000.0000 5280000.0000 6460000.0000 4-Hydroxyphenylpyruvic acid 9210000.0000 8860000.0000 7950000.0000 9100000.0000 14900000.0000 11200000.0000 19000000.0000 8460000.0000 4220000.0000 2410000.0000 11500000.0000 12400000.0000 8710000.0000 11800000.0000 12800000.0000 16500000.0000 4-Pyridoxic acid 33600000.0000 27300000.0000 27300000.0000 25300000.0000 27100000.0000 28000000.0000 63400000.0000 23200000.0000 14600000.0000 8970000.0000 42700000.0000 22100000.0000 16500000.0000 36000000.0000 34800000.0000 29100000.0000 5,6-DHET 63500.0000 33400.0000 28800.0000 84400.0000 76400.0000 37400.0000 24600.0000 68100.0000 53600.0000 11200.0000 37700.0000 145000.0000 75200.0000 35200.0000 44600.0000 158000.0000 5-HETE 1800000.0000 1670000.0000 1870000.0000 1830000.0000 5000000.0000 1530000.0000 4600000.0000 1670000.0000 760000.0000 178000.0000 4310000.0000 10500000.0000 630000.0000 2570000.0000 2240000.0000 936000.0000 5-Hydroxyindoleacetic acid \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N 5-Hydroxy-L-tryptophan \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N 6-Phosphogluconic acid 1580000.0000 1730000.0000 1400000.0000 1640000.0000 2130000.0000 2090000.0000 3580000.0000 1700000.0000 5310000.0000 4290000.0000 1780000.0000 5150000.0000 4700000.0000 2630000.0000 3820000.0000 6480000.0000 8,9-DiHETrE \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N 8-HETE \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N 8-Hydroxy-deoxyguanosine \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N 8-hydroxyguanosine 99100.0000 89700.0000 97500.0000 142000.0000 202000.0000 119000.0000 246000.0000 111000.0000 63000.0000 38000.0000 123000.0000 358000.0000 88600.0000 147000.0000 99700.0000 248000.0000 9-HETE 270000.0000 173000.0000 197000.0000 149000.0000 565000.0000 252000.0000 225000.0000 124000.0000 104000.0000 109000.0000 275000.0000 163000.0000 276000.0000 217000.0000 284000.0000 1000000.0000 Acetic acid 81600000.0000 75900000.0000 179000000.0000 85600000.0000 119000000.0000 98200000.0000 401000000.0000 108000000.0000 37700000.0000 56600000.0000 97400000.0000 268000000.0000 66200000.0000 168000000.0000 105000000.0000 358000000.0000 Adenosine diphosphate \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Adenylsuccinic acid 666000.0000 706000.0000 630000.0000 752000.0000 939000.0000 693000.0000 1680000.0000 804000.0000 546000.0000 324000.0000 713000.0000 1140000.0000 622000.0000 529000.0000 726000.0000 833000.0000 Adipic acid 1130000.0000 891000.0000 1040000.0000 705000.0000 839000.0000 991000.0000 559000.0000 810000.0000 690000.0000 382000.0000 1070000.0000 2700000.0000 1100000.0000 623000.0000 972000.0000 2640000.0000 AICAR 2480000.0000 1700000.0000 1870000.0000 2150000.0000 415000.0000 499000.0000 745000.0000 336000.0000 255000.0000 102000.0000 800000.0000 386000.0000 825000.0000 1350000.0000 1260000.0000 2130000.0000 Allantoic acid 470000.0000 385000.0000 409000.0000 520000.0000 2370000.0000 520000.0000 783000.0000 426000.0000 328000.0000 199000.0000 432000.0000 688000.0000 481000.0000 595000.0000 637000.0000 798000.0000 Allantoin \N \N \N \N \N \N \N \N 31300000.0000 18700000.0000 107000000.0000 101000000.0000 43900000.0000 75800000.0000 84200000.0000 99300000.0000 Alpha-ketoisocaproic acid 24600000.0000 23800000.0000 32200000.0000 102000000.0000 38200000.0000 29400000.0000 95300000.0000 108000000.0000 77600000.0000 11600000.0000 36700000.0000 267000000.0000 124000000.0000 36300000.0000 33700000.0000 117000000.0000 Alpha-ketoisovaleric acid 1160000.0000 3450000.0000 3720000.0000 5690000.0000 1400000.0000 4900000.0000 4970000.0000 5040000.0000 3670000.0000 2080000.0000 3550000.0000 7100000.0000 4420000.0000 3190000.0000 3960000.0000 13400000.0000 Aminoadipic acid 667000.0000 724000.0000 578000.0000 574000.0000 954000.0000 961000.0000 1530000.0000 695000.0000 430000.0000 183000.0000 856000.0000 490000.0000 325000.0000 555000.0000 568000.0000 981000.0000 Arachidonic Acid 557000.0000 491000.0000 446000.0000 464000.0000 157000.0000 232000.0000 339000.0000 175000.0000 1010000.0000 977000.0000 502000.0000 353000.0000 1270000.0000 752000.0000 795000.0000 873000.0000 Arginine 494000000.0000 467000000.0000 424000000.0000 500000000.0000 897000000.0000 555000000.0000 918000000.0000 473000000.0000 326000000.0000 190000000.0000 675000000.0000 930000000.0000 530000000.0000 657000000.0000 664000000.0000 849000000.0000 Azelaic acid 3380000.0000 5380000.0000 3010000.0000 3640000.0000 2980000.0000 3380000.0000 6190000.0000 3850000.0000 2940000.0000 2080000.0000 3710000.0000 10700000.0000 6490000.0000 3550000.0000 5240000.0000 11900000.0000 Behenic acid 221000000.0000 223000000.0000 208000000.0000 360000000.0000 236000000.0000 241000000.0000 581000000.0000 422000000.0000 319000000.0000 151000000.0000 309000000.0000 423000000.0000 504000000.0000 336000000.0000 292000000.0000 851000000.0000 Benzoic acid 19100000.0000 23800000.0000 14100000.0000 1290000.0000 13800000.0000 18100000.0000 26600000.0000 1020000.0000 995000.0000 9820000.0000 16600000.0000 32900000.0000 1690000.0000 14900000.0000 25200000.0000 37100000.0000 Carbamoylphosphate 798000.0000 884000.0000 745000.0000 804000.0000 554000.0000 807000.0000 1010000.0000 616000.0000 175000.0000 110000.0000 504000.0000 1080000.0000 1160000.0000 1440000.0000 2360000.0000 3020000.0000 Chenodeoxyglycocholic acid 7190000.0000 5640000.0000 6830000.0000 6250000.0000 11300000.0000 6320000.0000 15100000.0000 5660000.0000 3770000.0000 2100000.0000 10400000.0000 15200000.0000 5360000.0000 8430000.0000 7590000.0000 15800000.0000 Cholesteryl sulfate 30200000.0000 28100000.0000 32300000.0000 28900000.0000 44200000.0000 47800000.0000 129000000.0000 51800000.0000 29000000.0000 26900000.0000 40100000.0000 42600000.0000 62500000.0000 41200000.0000 38800000.0000 72600000.0000 Cholic acid 48000.0000 38400.0000 33800.0000 153000.0000 45200.0000 33700.0000 45100.0000 246000.0000 205000.0000 15900.0000 33800.0000 356000.0000 345000.0000 44100.0000 35200.0000 230000.0000 cis-aconitic acid 12200000.0000 11800000.0000 7900000.0000 8630000.0000 9330000.0000 8810000.0000 19600000.0000 7040000.0000 4590000.0000 2050000.0000 10700000.0000 17500000.0000 4660000.0000 5490000.0000 8110000.0000 12000000.0000 Citraconic acid 8130000.0000 8270000.0000 5880000.0000 5740000.0000 6010000.0000 7390000.0000 14800000.0000 5540000.0000 3600000.0000 2220000.0000 8180000.0000 14200000.0000 4680000.0000 4720000.0000 7010000.0000 9540000.0000 Citramalic acid 5140000.0000 5160000.0000 3760000.0000 4100000.0000 4570000.0000 4770000.0000 8570000.0000 4990000.0000 3290000.0000 1890000.0000 5610000.0000 9290000.0000 4510000.0000 3250000.0000 5330000.0000 8850000.0000 Citric acid 36000000.0000 38700000.0000 27000000.0000 24200000.0000 34100000.0000 30300000.0000 63600000.0000 26100000.0000 18700000.0000 11200000.0000 40000000.0000 71700000.0000 20400000.0000 19800000.0000 37300000.0000 47500000.0000 Citrulline 20500000.0000 18500000.0000 17200000.0000 22600000.0000 40400000.0000 22700000.0000 38300000.0000 20000000.0000 14800000.0000 7880000.0000 27800000.0000 39300000.0000 24500000.0000 26700000.0000 27100000.0000 41000000.0000 CL(14:1/14:1/14:1/15:1) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N CL(15:0/15:0/15:0/16:1) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N CL(18:2/18:1/18:1/20:4) 20600.0000 49000.0000 11500.0000 550000.0000 400000.0000 158000.0000 1140000.0000 408000.0000 329000.0000 127000.0000 27000.0000 528000.0000 372000.0000 128000.0000 25700.0000 678000.0000 CL(18:2/18:2/16:1/16:1) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N CL(18:2/18:2/18:1/18:1) 55000.0000 49600.0000 19600.0000 74100.0000 71300.0000 78300.0000 93100.0000 92500.0000 48900.0000 29900.0000 46200.0000 63100.0000 81500.0000 72200.0000 44700.0000 56300.0000 CL(18:2/18:2/18:2/16:1) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N CL(18:2/18:2/18:2/18:1) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N CL(18:2/18:2/18:2/18:2) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N CL(18:2/18:2/18:2/20:4) 7450.0000 19600.0000 8580.0000 90900.0000 51000.0000 33000.0000 147000.0000 52400.0000 55300.0000 20400.0000 12400.0000 133000.0000 57200.0000 17600.0000 36900.0000 103000.0000 CL(18:2/18:2/18:2/22:6) 28200.0000 71500.0000 52900.0000 32400.0000 46000.0000 108000.0000 134000.0000 50300.0000 39600.0000 82800.0000 52400.0000 81000.0000 118000.0000 201000.0000 127000.0000 120000.0000 CL(22:1/22:1/22:1/14:1) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N CL(24:1/24:1/24:1/14:1) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Coenzyme A \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Cyclic adenosine monophosphate 238000.0000 240000.0000 172000.0000 288000.0000 414000.0000 228000.0000 442000.0000 208000.0000 143000.0000 72000.0000 197000.0000 27500.0000 74400.0000 88000.0000 82100.0000 195000.0000 Cytidine diphosphate 1410000.0000 2260000.0000 1950000.0000 1550000.0000 1030000.0000 1260000.0000 2360000.0000 1260000.0000 3010000.0000 1820000.0000 836000.0000 5740000.0000 3720000.0000 1500000.0000 1360000.0000 3780000.0000 Cytidine diphosphate ethanolamine \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Cytidine triphosphate 390000.0000 446000.0000 399000.0000 434000.0000 407000.0000 205000.0000 633000.0000 363000.0000 351000.0000 253000.0000 465000.0000 24800.0000 485000.0000 265000.0000 689000.0000 1310000.0000 Dehydroascorbic acid 147000000.0000 151000000.0000 122000000.0000 97600000.0000 110000000.0000 119000000.0000 259000000.0000 104000000.0000 70900000.0000 54100000.0000 174000000.0000 99800000.0000 74200000.0000 74100000.0000 150000000.0000 198000000.0000 Dehydroisoandrosterone 3-sulfate 204000.0000 167000.0000 357000.0000 1560000.0000 312000.0000 178000.0000 781000.0000 1350000.0000 906000.0000 122000.0000 285000.0000 1530000.0000 1400000.0000 122000.0000 259000.0000 3300000.0000 Deoxyadenosine diphosphate 2480000.0000 2600000.0000 4030000.0000 2010000.0000 2310000.0000 2530000.0000 8600000.0000 2160000.0000 1610000.0000 1840000.0000 3050000.0000 15700000.0000 2730000.0000 3630000.0000 3560000.0000 12300000.0000 Deoxyadenosine triphosphate \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Deoxycholic acid \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Deoxycytidine triphosphate \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Deoxyguanosine diphosphate 7900000.0000 14800000.0000 10900000.0000 14400000.0000 7550000.0000 12200000.0000 19700000.0000 13000000.0000 37300000.0000 18300000.0000 5520000.0000 32400000.0000 28900000.0000 9510000.0000 8790000.0000 12900000.0000 Deoxyguanosine triphosphate \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Deoxyinosine \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Deoxythymidine diphospahte 2210000.0000 2220000.0000 2410000.0000 1580000.0000 1610000.0000 1770000.0000 3830000.0000 1660000.0000 2100000.0000 1860000.0000 2280000.0000 12200000.0000 2760000.0000 2070000.0000 2530000.0000 8930000.0000 D-Glyceraldehyde 3-phosphate 3880000.0000 3100000.0000 2860000.0000 3300000.0000 3150000.0000 3890000.0000 5540000.0000 2940000.0000 2450000.0000 1810000.0000 3690000.0000 7090000.0000 4070000.0000 1350000.0000 2840000.0000 9880000.0000 Dihydroxyacetone phosphate 5890000.0000 4980000.0000 4870000.0000 4830000.0000 5530000.0000 7080000.0000 11300000.0000 6030000.0000 2900000.0000 2000000.0000 7140000.0000 17700000.0000 2520000.0000 1590000.0000 2900000.0000 6110000.0000 DL-2-Aminooctanoic acid 2380000.0000 1890000.0000 1780000.0000 2120000.0000 4150000.0000 3060000.0000 6040000.0000 2810000.0000 1730000.0000 1110000.0000 3960000.0000 3330000.0000 1550000.0000 2210000.0000 2210000.0000 2720000.0000 Docosahexaenoic acid 5050000.0000 4070000.0000 4060000.0000 4860000.0000 4980000.0000 4650000.0000 7120000.0000 4010000.0000 3170000.0000 2830000.0000 3290000.0000 4010000.0000 5460000.0000 7270000.0000 6630000.0000 11600000.0000 Eicosapentaenoic acid \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Erythrose-4-phosphate 1560000.0000 1570000.0000 1290000.0000 1060000.0000 873000.0000 1440000.0000 2200000.0000 1090000.0000 727000.0000 572000.0000 1260000.0000 2380000.0000 853000.0000 661000.0000 1590000.0000 2180000.0000 Farnesyl diphosphate 802000.0000 872000.0000 1050000.0000 727000.0000 837000.0000 823000.0000 1610000.0000 743000.0000 618000.0000 256000.0000 945000.0000 2650000.0000 714000.0000 581000.0000 887000.0000 2190000.0000 Folic acid 4680000.0000 4580000.0000 4040000.0000 4430000.0000 5820000.0000 4000000.0000 9110000.0000 6310000.0000 7300000.0000 1010000.0000 6400000.0000 14500000.0000 7310000.0000 3850000.0000 5450000.0000 12600000.0000 Fructose 1,6-bisphosphate 11100000.0000 6710000.0000 7060000.0000 7600000.0000 9470000.0000 8630000.0000 12000000.0000 11500000.0000 5230000.0000 3020000.0000 5930000.0000 23200000.0000 6120000.0000 4110000.0000 7220000.0000 14300000.0000 Fumaric acid 8230000.0000 9030000.0000 6000000.0000 7400000.0000 9200000.0000 10600000.0000 19100000.0000 9820000.0000 7070000.0000 3860000.0000 12200000.0000 15900000.0000 5650000.0000 3640000.0000 6330000.0000 8670000.0000 Gamma-Aminobutyric acid 359000.0000 363000.0000 271000.0000 317000.0000 459000.0000 430000.0000 552000.0000 259000.0000 183000.0000 160000.0000 349000.0000 428000.0000 454000.0000 507000.0000 676000.0000 697000.0000 Geranyl-PP 752000.0000 835000.0000 851000.0000 668000.0000 514000.0000 571000.0000 1150000.0000 412000.0000 324000.0000 248000.0000 435000.0000 1910000.0000 581000.0000 746000.0000 572000.0000 2290000.0000 Glucaric acid \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Gluconic acid 19000000.0000 19200000.0000 19900000.0000 25300000.0000 19400000.0000 19700000.0000 45400000.0000 18900000.0000 12000000.0000 7340000.0000 16700000.0000 56000000.0000 17700000.0000 15000000.0000 18600000.0000 33100000.0000 Glucosamine 6-phosphate 648000.0000 679000.0000 559000.0000 693000.0000 1060000.0000 927000.0000 1600000.0000 874000.0000 944000.0000 176000.0000 956000.0000 1700000.0000 516000.0000 292000.0000 377000.0000 879000.0000 Glutaconic acid \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Glutathione 109000000.0000 133000000.0000 84500000.0000 102000000.0000 136000000.0000 167000000.0000 314000000.0000 174000000.0000 63900000.0000 41100000.0000 137000000.0000 355000000.0000 22700000.0000 15900000.0000 37100000.0000 78400000.0000 Glyceric acid 1300000.0000 1360000.0000 1570000.0000 1880000.0000 1380000.0000 1470000.0000 3380000.0000 1390000.0000 1020000.0000 687000.0000 1300000.0000 1000000.0000 1760000.0000 1880000.0000 1820000.0000 4560000.0000 Glyceric acid 1,3-biphosphate \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Glycerol 547000.0000 655000.0000 625000.0000 701000.0000 755000.0000 663000.0000 1400000.0000 1130000.0000 915000.0000 835000.0000 902000.0000 5680000.0000 2230000.0000 725000.0000 1260000.0000 5230000.0000 Glycerol 3-phosphate 4890000.0000 7040000.0000 4780000.0000 6420000.0000 4460000.0000 4550000.0000 9900000.0000 2590000.0000 2680000.0000 1530000.0000 4500000.0000 13200000.0000 4750000.0000 5190000.0000 7730000.0000 11700000.0000 Glycocholic acid 408000.0000 405000.0000 312000.0000 349000.0000 658000.0000 462000.0000 614000.0000 268000.0000 280000.0000 188000.0000 423000.0000 479000.0000 564000.0000 421000.0000 540000.0000 801000.0000 Guanosine diphosphate 227000.0000 173000.0000 178000.0000 200000.0000 200000.0000 170000.0000 448000.0000 213000.0000 197000.0000 182000.0000 149000.0000 1600000.0000 366000.0000 162000.0000 215000.0000 1190000.0000 Guanosine triphosphate 711000.0000 744000.0000 604000.0000 402000.0000 679000.0000 671000.0000 1310000.0000 603000.0000 333000.0000 264000.0000 716000.0000 2580000.0000 556000.0000 743000.0000 751000.0000 2070000.0000 Hexacosanoic acid \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Hexose Monophosphate Pool 10400000.0000 9880000.0000 8070000.0000 9610000.0000 6450000.0000 7780000.0000 17600000.0000 6720000.0000 5450000.0000 4040000.0000 9110000.0000 19800000.0000 6270000.0000 7610000.0000 10500000.0000 17100000.0000 Hexose Pool 362000000.0000 327000000.0000 298000000.0000 354000000.0000 550000000.0000 390000000.0000 689000000.0000 339000000.0000 177000000.0000 96200000.0000 424000000.0000 481000000.0000 348000000.0000 401000000.0000 476000000.0000 646000000.0000 Hippuric acid 53600000.0000 42600000.0000 39700000.0000 27900000.0000 55800000.0000 44500000.0000 83100000.0000 29300000.0000 21200000.0000 14100000.0000 62900000.0000 24900000.0000 30300000.0000 53800000.0000 57800000.0000 90900000.0000 Homogentisic acid \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Homovanillic acid \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Hydroxyisocaproic acid \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Imidazoleacetic acid \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Indole-3-carboxylic acid \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Inosine diphosphate 8370000.0000 10400000.0000 11800000.0000 7840000.0000 5590000.0000 8090000.0000 27900000.0000 6840000.0000 10300000.0000 7430000.0000 8390000.0000 52500000.0000 11100000.0000 12400000.0000 11800000.0000 44100000.0000 Inosine triphosphate 4120000.0000 4490000.0000 5190000.0000 24500000.0000 2950000.0000 3590000.0000 10400000.0000 13800000.0000 21300000.0000 2220000.0000 4410000.0000 21000000.0000 18400000.0000 4560000.0000 5190000.0000 16800000.0000 Inosine 3510000.0000 2630000.0000 2890000.0000 3760000.0000 2310000.0000 1140000.0000 2280000.0000 1480000.0000 3750000.0000 6590000.0000 1350000.0000 2400000.0000 11000000.0000 2490000.0000 2930000.0000 5830000.0000 IP4 193000000.0000 265000000.0000 258000000.0000 283000000.0000 150000000.0000 191000000.0000 546000000.0000 324000000.0000 255000000.0000 153000000.0000 275000000.0000 303000000.0000 339000000.0000 279000000.0000 225000000.0000 476000000.0000 Isocitric acid 1500000.0000 1970000.0000 1450000.0000 1550000.0000 1630000.0000 1880000.0000 3780000.0000 1510000.0000 780000.0000 402000.0000 1830000.0000 4180000.0000 1080000.0000 964000.0000 1860000.0000 2550000.0000 Kynurenic acid 643000.0000 523000.0000 465000.0000 348000.0000 419000.0000 367000.0000 703000.0000 344000.0000 237000.0000 208000.0000 679000.0000 745000.0000 521000.0000 716000.0000 780000.0000 1210000.0000 L-Ascorbic acid 307000.0000 446000.0000 339000.0000 2890000.0000 143000.0000 338000.0000 523000.0000 3130000.0000 2690000.0000 161000.0000 402000.0000 1310000.0000 6720000.0000 312000.0000 390000.0000 1360000.0000 L-Aspartic acid 79500000.0000 75800000.0000 71000000.0000 90200000.0000 94300000.0000 68400000.0000 123000000.0000 62000000.0000 36500000.0000 14500000.0000 72700000.0000 116000000.0000 69400000.0000 72500000.0000 81500000.0000 119000000.0000 L-Cystine 1480000.0000 1190000.0000 1660000.0000 1650000.0000 1730000.0000 1120000.0000 2470000.0000 894000.0000 526000.0000 192000.0000 1040000.0000 1170000.0000 3130000.0000 3870000.0000 3110000.0000 4430000.0000 L-Glutamic acid 454000000.0000 408000000.0000 329000000.0000 399000000.0000 524000000.0000 415000000.0000 659000000.0000 332000000.0000 212000000.0000 118000000.0000 508000000.0000 751000000.0000 377000000.0000 493000000.0000 563000000.0000 711000000.0000 L-Homocysteic acid \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Lignoceric acid \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Linoleic acid \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Lipoic acid \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N L-Lactic acid 280000000.0000 256000000.0000 252000000.0000 266000000.0000 433000000.0000 341000000.0000 612000000.0000 254000000.0000 230000000.0000 164000000.0000 457000000.0000 284000000.0000 207000000.0000 308000000.0000 322000000.0000 574000000.0000 L-Threonine 35900000.0000 33600000.0000 34900000.0000 42600000.0000 39900000.0000 34800000.0000 73600000.0000 42100000.0000 25900000.0000 13200000.0000 31500000.0000 62600000.0000 45900000.0000 46000000.0000 47300000.0000 68500000.0000 Maleic acid 9530000.0000 10400000.0000 7280000.0000 8060000.0000 9710000.0000 11400000.0000 22900000.0000 11200000.0000 8090000.0000 3910000.0000 12700000.0000 19900000.0000 6860000.0000 3980000.0000 7390000.0000 10500000.0000 Malic acid 227000000.0000 232000000.0000 150000000.0000 156000000.0000 232000000.0000 219000000.0000 467000000.0000 201000000.0000 141000000.0000 85700000.0000 310000000.0000 414000000.0000 88900000.0000 80100000.0000 160000000.0000 205000000.0000 Malondialdehyde \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Methylmalonic acid 21300000.0000 19200000.0000 13400000.0000 12100000.0000 20600000.0000 16700000.0000 34800000.0000 11000000.0000 8110000.0000 4390000.0000 26400000.0000 27100000.0000 10100000.0000 16800000.0000 21200000.0000 22000000.0000 Mevalonic acid 1140000.0000 1350000.0000 1280000.0000 1380000.0000 444000.0000 938000.0000 2490000.0000 2040000.0000 1530000.0000 972000.0000 1480000.0000 7130000.0000 2860000.0000 1010000.0000 2090000.0000 6960000.0000 Myoinositol 431000000.0000 432000000.0000 468000000.0000 645000000.0000 849000000.0000 556000000.0000 1330000000.0000 734000000.0000 466000000.0000 221000000.0000 779000000.0000 918000000.0000 508000000.0000 499000000.0000 573000000.0000 926000000.0000 N-Acetylaspartylglutamic acid 82300.0000 194000.0000 125000.0000 69300.0000 96500.0000 276000.0000 445000.0000 88300.0000 66400.0000 15200.0000 167000.0000 490000.0000 49300.0000 26700.0000 68700.0000 332000.0000 N-Acetyl-glucosamine 1-phosphate \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N N-Acetyl-L-aspartic acid 564000.0000 580000.0000 491000.0000 329000.0000 433000.0000 295000.0000 941000.0000 558000.0000 292000.0000 108000.0000 588000.0000 909000.0000 449000.0000 468000.0000 618000.0000 1400000.0000 NAD+ 27600000.0000 34000000.0000 24700000.0000 40400000.0000 54100000.0000 43300000.0000 67500000.0000 46700000.0000 16100000.0000 7170000.0000 29600000.0000 68900000.0000 12200000.0000 11800000.0000 13900000.0000 22000000.0000 NADH 1730000.0000 1410000.0000 928000.0000 1100000.0000 1050000.0000 582000.0000 1250000.0000 762000.0000 606000.0000 384000.0000 2180000.0000 2050000.0000 413000.0000 751000.0000 1600000.0000 2080000.0000 Nicotinic acid 1010000.0000 917000.0000 613000.0000 92800.0000 678000.0000 839000.0000 1270000.0000 146000.0000 69000.0000 411000.0000 788000.0000 1650000.0000 146000.0000 805000.0000 1010000.0000 1870000.0000 Octulose-1,8-bisphosphate 767000.0000 859000.0000 840000.0000 831000.0000 709000.0000 820000.0000 1870000.0000 931000.0000 754000.0000 411000.0000 936000.0000 4240000.0000 973000.0000 677000.0000 1120000.0000 2900000.0000 Oleic acid \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Orotic acid \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Orotidine monophosphate 73300.0000 69900.0000 110000.0000 192000.0000 340000.0000 220000.0000 228000.0000 210000.0000 122000.0000 40500.0000 204000.0000 323000.0000 341000.0000 169000.0000 244000.0000 472000.0000 Oxalic acid \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Oxaloacetic acid 9140000.0000 10800000.0000 7490000.0000 9160000.0000 9430000.0000 9880000.0000 8820000.0000 9600000.0000 10700000.0000 8120000.0000 18100000.0000 16600000.0000 16900000.0000 5840000.0000 24900000.0000 30200000.0000 Oxidized glutathione 54200000.0000 65400000.0000 56000000.0000 104000000.0000 122000000.0000 81600000.0000 121000000.0000 91800000.0000 37000000.0000 10300000.0000 66800000.0000 93800000.0000 52200000.0000 39500000.0000 58100000.0000 93000000.0000 Oxoglutaric acid 16000000.0000 17000000.0000 12100000.0000 13500000.0000 22800000.0000 20700000.0000 44200000.0000 21500000.0000 10700000.0000 4820000.0000 24700000.0000 56300000.0000 9820000.0000 8490000.0000 17300000.0000 29700000.0000 p-Aminobenzoic acid \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Pantothenic acid 41300000.0000 39100000.0000 36100000.0000 70000000.0000 43900000.0000 43900000.0000 102000000.0000 96000000.0000 49800000.0000 15000000.0000 41500000.0000 434000000.0000 75800000.0000 36000000.0000 35800000.0000 178000000.0000 p-Cresol \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N PE(18:0/18:0) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N PE(28:0) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N PE(28:1) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N PE(30:0) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N PE(30:1) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N PE(30:2) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N PE(32:1) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N PE(32:2) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N PE(34:1) 4450000.0000 6360000.0000 6280000.0000 4490000.0000 12200000.0000 9260000.0000 22700000.0000 11300000.0000 6360000.0000 5220000.0000 4060000.0000 5210000.0000 21000000.0000 2840000.0000 3230000.0000 9020000.0000 PE(34:2) 4780000.0000 6610000.0000 7630000.0000 8270000.0000 26500000.0000 18500000.0000 48300000.0000 23400000.0000 12100000.0000 12200000.0000 3570000.0000 14800000.0000 27400000.0000 5960000.0000 5680000.0000 14900000.0000 PE(36:1) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N PE(36:2) 47200000.0000 65300000.0000 98300000.0000 62900000.0000 164000000.0000 144000000.0000 379000000.0000 180000000.0000 68800000.0000 77100000.0000 45300000.0000 63700000.0000 201000000.0000 36300000.0000 26300000.0000 87700000.0000 PE(36:3) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N PE(38:4) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N PE(38:5) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Phenyllactic acid 6650000.0000 5440000.0000 5230000.0000 5200000.0000 8250000.0000 5630000.0000 10100000.0000 4370000.0000 2240000.0000 1450000.0000 7850000.0000 7860000.0000 3920000.0000 8410000.0000 7910000.0000 10100000.0000 Phenylpropiolic acid 36600000.0000 34900000.0000 31700000.0000 40800000.0000 52300000.0000 36000000.0000 58800000.0000 34500000.0000 28000000.0000 15000000.0000 42300000.0000 57000000.0000 39600000.0000 38400000.0000 42300000.0000 62500000.0000 Phenylpyruvic acid \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Phosphoenolpyruvic acid 3840000.0000 2380000.0000 1810000.0000 1890000.0000 1290000.0000 1290000.0000 2070000.0000 1240000.0000 2430000.0000 1260000.0000 4230000.0000 4330000.0000 3010000.0000 1990000.0000 3550000.0000 4320000.0000 p-Hydroxyphenylacetic acid 365000.0000 157000.0000 406000.0000 615000.0000 313000.0000 446000.0000 959000.0000 770000.0000 388000.0000 330000.0000 363000.0000 3260000.0000 726000.0000 346000.0000 287000.0000 3230000.0000 PI(16:0/16:0) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N PI(26:0) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N PI(26:1) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N PI(28:0) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N PI(28:1) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N PI(30:0) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N PI(30:1) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N PI(30:2) 36700000.0000 36300000.0000 36700000.0000 37000000.0000 109000000.0000 61600000.0000 81200000.0000 73100000.0000 50800000.0000 54700000.0000 21300000.0000 87300000.0000 88300000.0000 36300000.0000 50300000.0000 67400000.0000 PI(32:1) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N PI(32:2) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N PI(34:0) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N PI(34:1) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N PI(34:2) 1040000.0000 1030000.0000 1440000.0000 2250000.0000 3160000.0000 2530000.0000 3440000.0000 4640000.0000 2420000.0000 2990000.0000 454000.0000 1950000.0000 4710000.0000 1040000.0000 1210000.0000 2320000.0000 PI(36:0) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N PI(36:1) 535000.0000 626000.0000 695000.0000 924000.0000 1400000.0000 1590000.0000 2950000.0000 1690000.0000 \N \N \N \N \N \N \N \N PI(36:2) 7760000.0000 10300000.0000 12100000.0000 12700000.0000 21200000.0000 22100000.0000 52100000.0000 27000000.0000 18300000.0000 20200000.0000 5090000.0000 18400000.0000 49600000.0000 6540000.0000 6000000.0000 20400000.0000 PI(36:4) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N PI(38:3) \N \N \N \N \N \N \N \N 5450000.0000 6400000.0000 5900000.0000 5870000.0000 27500000.0000 1900000.0000 13300000.0000 10600000.0000 PI(38:4) 15100000.0000 20400000.0000 26200000.0000 20900000.0000 39300000.0000 43100000.0000 99000000.0000 53100000.0000 32900000.0000 39900000.0000 12400000.0000 41200000.0000 225000000.0000 27800000.0000 24800000.0000 91900000.0000 PI(38:5) \N \N \N \N \N \N \N \N 16400000.0000 20500000.0000 5070000.0000 14000000.0000 93300000.0000 17100000.0000 18200000.0000 42900000.0000 PI(40:5) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Pipecolic acid 388000000.0000 373000000.0000 362000000.0000 385000000.0000 702000000.0000 383000000.0000 596000000.0000 325000000.0000 315000000.0000 230000000.0000 488000000.0000 472000000.0000 496000000.0000 432000000.0000 462000000.0000 798000000.0000 Plasmalogen(20:4/p18:1) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Plasmalogen(p16:0/20:4) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Plasmalogen(p18:0/20:4) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Plasmalogen(p18:0/22:6) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Prostaglandin D2 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Prostaglandin E2 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Prostaglandin J2 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N PS(18:0/18:1) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N PS(18:0/20:4) 2760000.0000 2680000.0000 2390000.0000 4020000.0000 5410000.0000 5920000.0000 9020000.0000 5450000.0000 1990000.0000 1590000.0000 976000.0000 2980000.0000 21300000.0000 9920000.0000 8360000.0000 14300000.0000 PS(32:0) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N PS(32:1) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N PS(32:2) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N PS(34:1) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N PS(34:2) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N PS(36:0) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N PS(36:2) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Pyroglutamic acid 10800000.0000 10400000.0000 10400000.0000 19100000.0000 15200000.0000 11100000.0000 21700000.0000 16100000.0000 16000000.0000 4860000.0000 15200000.0000 39500000.0000 29500000.0000 15600000.0000 16700000.0000 47400000.0000 Pyrophosphate 58600000.0000 60800000.0000 422000.0000 56800000.0000 61900000.0000 57000000.0000 95500000.0000 42900000.0000 26300000.0000 12300000.0000 85500000.0000 220000000.0000 32800000.0000 50200000.0000 77500000.0000 114000000.0000 Quinolinic Acid 9330000.0000 8770000.0000 6990000.0000 851000.0000 6410000.0000 7580000.0000 13800000.0000 1130000.0000 813000.0000 4920000.0000 9160000.0000 16600000.0000 1510000.0000 6800000.0000 13400000.0000 18400000.0000 Resolvin D1 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Riboflavin 39300000.0000 35000000.0000 31700000.0000 40000000.0000 50800000.0000 38800000.0000 80400000.0000 34900000.0000 23500000.0000 11900000.0000 61500000.0000 70700000.0000 30600000.0000 64400000.0000 48200000.0000 63600000.0000 Salicyluric acid 941000.0000 1020000.0000 839000.0000 912000.0000 1070000.0000 968000.0000 2160000.0000 1000000.0000 595000.0000 236000.0000 1220000.0000 2520000.0000 625000.0000 828000.0000 1230000.0000 1890000.0000 Sedoheptulose 1,7-bisphosphate \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Sedoheptulose monophosphate 4400000.0000 4200000.0000 3210000.0000 3880000.0000 4840000.0000 4690000.0000 7720000.0000 4070000.0000 3960000.0000 1850000.0000 5040000.0000 9570000.0000 3520000.0000 4180000.0000 5990000.0000 6760000.0000 Shikimate-3-phosphate 8630000.0000 12000000.0000 11800000.0000 8370000.0000 7870000.0000 9450000.0000 25900000.0000 8900000.0000 6610000.0000 4240000.0000 9910000.0000 57700000.0000 11600000.0000 9930000.0000 13200000.0000 45700000.0000 Shikimic acid \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N SM(d18:1/16:1) 3730000.0000 3620000.0000 2640000.0000 5870000.0000 18000000.0000 12000000.0000 20700000.0000 11200000.0000 7250000.0000 6170000.0000 2330000.0000 12100000.0000 11000000.0000 5920000.0000 5640000.0000 9970000.0000 SM(d18:1/26:1) 572000.0000 417000.0000 614000.0000 1100000.0000 1020000.0000 877000.0000 1990000.0000 1010000.0000 830000.0000 689000.0000 429000.0000 1220000.0000 2680000.0000 1000000.0000 1290000.0000 1710000.0000 SM(d18:1/12:0) 4820000.0000 5630000.0000 4200000.0000 8350000.0000 14600000.0000 13600000.0000 29900000.0000 14000000.0000 11500000.0000 9100000.0000 4320000.0000 12200000.0000 19500000.0000 9750000.0000 8310000.0000 14500000.0000 SM(d18:1/16:0 OH) 435000.0000 307000.0000 453000.0000 850000.0000 4160000.0000 722000.0000 4740000.0000 2950000.0000 2200000.0000 1480000.0000 280000.0000 907000.0000 4090000.0000 339000.0000 794000.0000 1780000.0000 SM(d18:1/16:0) 6370000.0000 7560000.0000 8990000.0000 10800000.0000 42600000.0000 29300000.0000 59900000.0000 31400000.0000 16000000.0000 17100000.0000 4910000.0000 21000000.0000 46000000.0000 9780000.0000 7900000.0000 22700000.0000 SM(d18:1/16:1 OH) 880000.0000 1080000.0000 2180000.0000 3660000.0000 10300000.0000 5010000.0000 14100000.0000 9450000.0000 5770000.0000 3080000.0000 423000.0000 4350000.0000 14400000.0000 1150000.0000 720000.0000 7480000.0000 SM(d18:1/16:2 OH) 489000.0000 533000.0000 434000.0000 1430000.0000 3040000.0000 1720000.0000 4480000.0000 2730000.0000 1910000.0000 943000.0000 366000.0000 1950000.0000 2840000.0000 599000.0000 621000.0000 2780000.0000 SM(d18:1/16:2) 142000.0000 265000.0000 109000.0000 340000.0000 962000.0000 539000.0000 588000.0000 593000.0000 420000.0000 271000.0000 167000.0000 640000.0000 591000.0000 340000.0000 241000.0000 883000.0000 SM(d18:1/18:0 OH) 1210000.0000 1050000.0000 771000.0000 1430000.0000 3790000.0000 2710000.0000 5720000.0000 2770000.0000 1810000.0000 1430000.0000 700000.0000 3710000.0000 2960000.0000 1900000.0000 1920000.0000 3060000.0000 SM(d18:1/18:0) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N SM(d18:1/18:1 OH) 99900.0000 66400.0000 203000.0000 323000.0000 1010000.0000 365000.0000 1220000.0000 824000.0000 383000.0000 249000.0000 85100.0000 134000.0000 1230000.0000 155000.0000 149000.0000 599000.0000 SM(d18:1/18:1) 584000.0000 487000.0000 418000.0000 633000.0000 2570000.0000 1650000.0000 3500000.0000 1800000.0000 1130000.0000 812000.0000 439000.0000 1730000.0000 3040000.0000 1060000.0000 791000.0000 2120000.0000 SM(d18:1/18:2 OH) 129000.0000 65600.0000 67000.0000 223000.0000 634000.0000 331000.0000 888000.0000 403000.0000 299000.0000 158000.0000 65100.0000 424000.0000 642000.0000 193000.0000 189000.0000 510000.0000 SM(d18:1/18:2) 592000.0000 622000.0000 379000.0000 639000.0000 2200000.0000 1160000.0000 2740000.0000 1210000.0000 941000.0000 914000.0000 437000.0000 3730000.0000 1610000.0000 1090000.0000 1050000.0000 1760000.0000 SM(d18:1/20:0 OH) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N SM(d18:1/20:0) 1030000.0000 1040000.0000 739000.0000 1580000.0000 3800000.0000 2450000.0000 5150000.0000 2910000.0000 2140000.0000 1280000.0000 1050000.0000 4160000.0000 2640000.0000 1660000.0000 1860000.0000 3030000.0000 SM(d18:1/20:1 OH) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N SM(d18:1/20:1) 373000.0000 447000.0000 493000.0000 549000.0000 1940000.0000 1030000.0000 2390000.0000 1290000.0000 701000.0000 516000.0000 317000.0000 2590000.0000 1810000.0000 671000.0000 611000.0000 1400000.0000 SM(d18:1/20:2 OH) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N SM(d18:1/20:2) 2720000.0000 3220000.0000 3570000.0000 2480000.0000 13200000.0000 8590000.0000 20900000.0000 7090000.0000 4280000.0000 4490000.0000 2360000.0000 19900000.0000 11200000.0000 4240000.0000 3690000.0000 9350000.0000 SM(d18:1/22:0 OH) 207000.0000 303000.0000 169000.0000 484000.0000 1190000.0000 686000.0000 1640000.0000 1000000.0000 534000.0000 404000.0000 233000.0000 632000.0000 1580000.0000 296000.0000 331000.0000 1140000.0000 SM(d18:1/22:0) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N SM(d18:1/22:1) 251000.0000 234000.0000 257000.0000 711000.0000 559000.0000 893000.0000 1910000.0000 1860000.0000 1060000.0000 678000.0000 128000.0000 1140000.0000 2430000.0000 469000.0000 336000.0000 1410000.0000 SM(d18:1/22:2 OH) 216000.0000 247000.0000 206000.0000 471000.0000 668000.0000 503000.0000 1350000.0000 949000.0000 821000.0000 617000.0000 410000.0000 1870000.0000 1870000.0000 752000.0000 788000.0000 1300000.0000 SM(d18:1/22:2) 1040000.0000 1020000.0000 1040000.0000 1890000.0000 2770000.0000 2210000.0000 4520000.0000 3080000.0000 2240000.0000 1360000.0000 840000.0000 3670000.0000 4590000.0000 1710000.0000 1600000.0000 3160000.0000 SM(d18:1/23:0) or SM(d18:1/22:1 OH) 72700.0000 255000.0000 332000.0000 411000.0000 429000.0000 360000.0000 1110000.0000 591000.0000 560000.0000 451000.0000 218000.0000 835000.0000 1160000.0000 619000.0000 462000.0000 1050000.0000 SM(d18:1/24:0 OH) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N SM(d18:1/24:0) 3070000.0000 2920000.0000 2230000.0000 3880000.0000 6000000.0000 5400000.0000 9420000.0000 5990000.0000 3750000.0000 2930000.0000 1740000.0000 5790000.0000 8130000.0000 4440000.0000 4710000.0000 6410000.0000 SM(d18:1/24:1) 1250000.0000 695000.0000 1210000.0000 1850000.0000 2800000.0000 2510000.0000 7680000.0000 5700000.0000 3080000.0000 2320000.0000 199000.0000 3880000.0000 8170000.0000 763000.0000 793000.0000 5060000.0000 SM(d18:1/24:2 OH) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N SM(d18:1/24:2) 719000.0000 905000.0000 791000.0000 1680000.0000 1830000.0000 1980000.0000 4780000.0000 2340000.0000 2980000.0000 2230000.0000 1350000.0000 5350000.0000 5330000.0000 3420000.0000 3310000.0000 5120000.0000 SM(d18:1/25:0) or SM(d18:1/24:1 OH) 419000.0000 271000.0000 328000.0000 498000.0000 710000.0000 695000.0000 1030000.0000 638000.0000 381000.0000 271000.0000 277000.0000 884000.0000 1530000.0000 845000.0000 777000.0000 1290000.0000 SM(d18:1/26:0 OH) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N SM(d18:1/26:0) 5650000.0000 5700000.0000 4390000.0000 7740000.0000 15600000.0000 13200000.0000 24400000.0000 14500000.0000 8650000.0000 6960000.0000 3940000.0000 12500000.0000 23200000.0000 9250000.0000 9820000.0000 15900000.0000 SM(d18:1/26:1 OH) \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N SM(d18:1/26:2 OH) 1110000.0000 940000.0000 749000.0000 1300000.0000 1860000.0000 1870000.0000 3460000.0000 2030000.0000 1120000.0000 870000.0000 974000.0000 2710000.0000 2800000.0000 1420000.0000 1760000.0000 2650000.0000 SM(d18:1/26:2) 560000.0000 637000.0000 568000.0000 1140000.0000 1190000.0000 915000.0000 1610000.0000 1160000.0000 808000.0000 537000.0000 403000.0000 1170000.0000 2410000.0000 1070000.0000 885000.0000 1710000.0000 Succinic acid 3570000.0000 3340000.0000 2530000.0000 1930000.0000 3870000.0000 2920000.0000 6300000.0000 1980000.0000 1510000.0000 829000.0000 4160000.0000 5480000.0000 1740000.0000 2350000.0000 3850000.0000 4150000.0000 Sucrose \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Taurine 848000000.0000 843000000.0000 713000000.0000 782000000.0000 1460000000.0000 1170000000.0000 1820000000.0000 955000000.0000 520000000.0000 382000000.0000 1010000000.0000 1610000000.0000 759000000.0000 883000000.0000 1050000000.0000 1290000000.0000 Taurochenodesoxycholic acid \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Taurocholic acid 383000.0000 309000.0000 4420000.0000 286000.0000 6910000.0000 317000.0000 9700000.0000 266000.0000 179000.0000 110000.0000 537000.0000 7160000.0000 253000.0000 506000.0000 2780000.0000 7580000.0000 Taurodeoxycholic acid 1290000.0000 1110000.0000 994000.0000 1180000.0000 1550000.0000 1510000.0000 3590000.0000 906000.0000 916000.0000 409000.0000 1930000.0000 2310000.0000 1070000.0000 1390000.0000 1250000.0000 2530000.0000 Tetranor-PGEM \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Tetranor-PGFM \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Thiamine pyrophosphate \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Thromboxane B2 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Thymidine 5-triphosphate \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Uracil 118000000.0000 248000000.0000 309000000.0000 358000000.0000 276000000.0000 307000000.0000 545000000.0000 261000000.0000 149000000.0000 88700000.0000 423000000.0000 558000000.0000 318000000.0000 462000000.0000 469000000.0000 798000000.0000 Ureidosuccinic acid \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Uric acid 14100000.0000 13800000.0000 12600000.0000 14100000.0000 22000000.0000 15300000.0000 30700000.0000 13500000.0000 8380000.0000 3120000.0000 24500000.0000 36100000.0000 10500000.0000 12100000.0000 20300000.0000 41800000.0000 Uridine 15300000.0000 13000000.0000 13300000.0000 10100000.0000 24900000.0000 13800000.0000 29700000.0000 9140000.0000 5600000.0000 3700000.0000 21100000.0000 23600000.0000 7680000.0000 16800000.0000 17800000.0000 24400000.0000 Uridine 5-diphosphate 2990000.0000 3820000.0000 2970000.0000 2900000.0000 2430000.0000 2910000.0000 5420000.0000 3340000.0000 6030000.0000 3020000.0000 2190000.0000 9800000.0000 5770000.0000 2770000.0000 2690000.0000 5470000.0000 Uridine diphosphate glucose 12200000.0000 13500000.0000 10100000.0000 12900000.0000 10300000.0000 9200000.0000 19300000.0000 10600000.0000 3600000.0000 2080000.0000 7910000.0000 16700000.0000 6760000.0000 5750000.0000 10100000.0000 18400000.0000 Uridine diphosphate-n-acetyl-D-glucosamine \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Uridine triphosphate 817000.0000 738000.0000 3020000.0000 699000.0000 604000.0000 573000.0000 1730000.0000 619000.0000 743000.0000 427000.0000 865000.0000 2420000.0000 946000.0000 594000.0000 889000.0000 1810000.0000 Xanthine 52900000.0000 43600000.0000 45400000.0000 77300000.0000 52000000.0000 29800000.0000 57600000.0000 30400000.0000 22500000.0000 7170000.0000 42200000.0000 67200000.0000 48700000.0000 52100000.0000 59700000.0000 124000000.0000 Xanthosine 1510000.0000 1680000.0000 1470000.0000 1990000.0000 1810000.0000 1980000.0000 2660000.0000 1460000.0000 \N \N \N \N \N \N \N \N Xanthurenic acid \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N metabolite_name retention index quantified m/z PubChem ID KEGG ID 11(R)-HETE 5312981 C14780 11,12-DiHETrE 5283146 C14774 12-HETE 5312983 13,14-Dihydro-15-keto PGF2a 5283039 13S-hydroxyoctadecadienoic acid 6443013 C14762 14,15-DHET C14775 15(S)-HETE 5280724 C04742 20-Hydroxyeicosatetraenoic acid 5283157 C14748 2-Aminoisobutyric acid 6119 C03665 2-deoxyglucose-6-phosphate 2-Deoxyinosine triphosphate 143345 2-Hydroxy-3-methylbutyric acid 99823 2-Hydroxyglutarate 43 C02630 2-Isopropylmalic acid 5280523 C02504 2-Ketohexanoic acid 159664 C00902 2-Keto-L-gluconate 50 C15673 2-Methylcitric acid 515 2-Oxo-4-methylthiobutanoic acid 473 C01180 2-Pyrocatechuic acid 19 C00196 3-methylphenylacetic acid 12121 3-Methylthiopropionic acid 563 C08276 3-Phosphoglyceric acid 724 C00597 4-Hydroxybenzoic acid 135 C00156 4-Hydroxynonenal 5283344 4-Hydroxyphenyllactic acid 9378 C03672 4-Hydroxyphenylpyruvic acid 979 C01179 4-Pyridoxic acid 6723 C00847 5,6-DHET 5283142 C14772 5-HETE 5280733 C04805 5-Hydroxyindoleacetic acid 1826 C05635 5-Hydroxy-L-tryptophan 144 C01017 6-Phosphogluconic acid 91493 C00345 8,9-DiHETrE 5283144 C14773 8-HETE 5283154 C14776 8-Hydroxy-deoxyguanosine 73318 8-hydroxyguanosine 65131 9-HETE 5312978 Acetic acid 176 C00033 Adenosine diphosphate 6022 C00008 Adenylsuccinic acid 440122 C03794 Adipic acid 196 C06104 AICAR 65110 C04677 Allantoic acid 203 C00499 Allantoin 204 C01551 Alpha-ketoisocaproic acid 70 C00233 Alpha-ketoisovaleric acid 49 C00141 Aminoadipic acid 469 C00956 Arachidonic Acid 444899 C00219 Arginine 6322 C00062 Azelaic acid 2266 C08261 Behenic acid 8215 C08281 Benzoic acid 243 C00180 Carbamoylphosphate 278 C00169 Chenodeoxyglycocholic acid 53477907 C05462 Cholesteryl sulfate 65076 C18043 Cholic acid 221493 C00695 cis-aconitic acid 643757 C00417 Citraconic acid 643798 C02226 Citramalic acid 1081 C00815 Citric acid 311 C00158 Citrulline 9750 C00327 CL(14:1/14:1/14:1/15:1) CL(15:0/15:0/15:0/16:1) 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) 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) 5283539 CL(18:2/18:2/18:2/20:4) CL(18:2/18:2/18:2/22:6) CL(22:1/22:1/22:1/14:1) CL(24:1/24:1/24:1/14:1) Coenzyme A 6816 C00010 Cyclic adenosine monophosphate 6076 C00575 Cytidine diphosphate 6132 C00112 Cytidine diphosphate ethanolamine 123727 C00570 Cytidine triphosphate 6176 C00063 Dehydroascorbic acid 210328 C00425 Dehydroisoandrosterone 3-sulfate 12591 C16535 Deoxyadenosine diphosphate 53477733 C00206 Deoxyadenosine triphosphate 15993 C00131 Deoxycholic acid 222528 C04483 Deoxycytidine triphosphate 65091 C00458 Deoxyguanosine diphosphate 439220 C00361 Deoxyguanosine triphosphate 65103 C00286 Deoxyinosine 65058 C05512 Deoxythymidine diphospahte 164628 C00363 D-Glyceraldehyde 3-phosphate 729 C00661 Dihydroxyacetone phosphate 668 C00111 DL-2-Aminooctanoic acid 69522 Docosahexaenoic acid 445580 C06429 Eicosapentaenoic acid 446284 C06428 Erythrose-4-phosphate 122357 C00279 Farnesyl diphosphate 445713 C00448 Folic acid 6037 C00504 Fructose 1,6-bisphosphate 172313 C00354 Fumaric acid 444972 C00122 Gamma-Aminobutyric acid 119 C00334 Geranyl-PP 445995 C00341 Glucaric acid 33037 C00818 Gluconic acid 10690 C00257 Glucosamine 6-phosphate 439217 C00352 Glutaconic acid 5280498 C02214 Glutathione 124886 C00051 Glyceric acid 439194 C00258 Glyceric acid 1,3-biphosphate 683 C00236 Glycerol 753 C00116 Glycerol 3-phosphate 439162 C00093 Glycocholic acid 23617285 C01921 Guanosine diphosphate 8977 C00035 Guanosine triphosphate 6830 C00044 Hexacosanoic acid 10469 Hexose Monophosphate Pool Hexose Pool Hippuric acid 464 C01586 Homogentisic acid 780 C00544 Homovanillic acid 1738 C05582 Hydroxyisocaproic acid 83697 Imidazoleacetic acid 96215 C02835 Indole-3-carboxylic acid 69867 C19837 Inosine diphosphate 644173 C00104 Inosine triphosphate 8583 C00081 Inosine 6021 C00294 IP4 107758 C01272 Isocitric acid 1198 C00311 Kynurenic acid 3845 C01717 L-Ascorbic acid 54670067 C00072 L-Aspartic acid 5960 C00049 L-Cystine 67678 C00491 L-Glutamic acid 33032 C00025 L-Homocysteic acid 177491 C16511 Lignoceric acid 11197 C08320 Linoleic acid 5280450 C01595 Lipoic acid 6112 C00725 L-Lactic acid 107689 C00186 L-Threonine 6288 C00188 Maleic acid 444266 C01384 Malic acid 525 C00711 Malondialdehyde 10964 C19440 Methylmalonic acid 487 C02170 Mevalonic acid 449 C00418 Myoinositol C00137 N-Acetylaspartylglutamic acid 5255 C12270 N-Acetyl-glucosamine 1-phosphate 440272 C04256 N-Acetyl-L-aspartic acid 65065 C01042 NAD+ 5893 C00003 NADH 928 C00004 Nicotinic acid 938 C00253 Octulose-1,8-bisphosphate Oleic acid 445639 C00712 Orotic acid 967 C00295 Orotidine monophosphate 160617 C01103 Oxalic acid 971 C00209 Oxaloacetic acid 970 C00036 Oxidized glutathione 975 C00127 Oxoglutaric acid 51 C00026 p-Aminobenzoic acid 978 C00568 Pantothenic acid 988 C00864 p-Cresol 2879 C01468 PE(18:0/18:0) 447078 C00350 PE(28:0) 9852308 C00350 PE(28:1) 52924113 C00350 PE(30:0) 446670 C00350 PE(30:1) 52924132 C00350 PE(30:2) 52924133 C00350 PE(32:1) 52924137 C00350 PE(32:2) 9546809 C00350 PE(34:1) 5283496 C00350 PE(34:2) 9546747 C00350 PE(36:1) 9546742 C00350 PE(36:2) 9546749 C00350 PE(36:3) 9546753 C00350 PE(38:4) 5289133 C00350 PE(38:5) 52924241 C00350 Phenyllactic acid 3848 C01479 Phenylpropiolic acid 69475 Phenylpyruvic acid 997 C00166 Phosphoenolpyruvic acid 1005 C00074 p-Hydroxyphenylacetic acid 127 C00642 PI(16:0/16:0) C00626 PI(26:0) PI(26:1) PI(28:0) PI(28:1) PI(30:0) PI(30:1) PI(30:2) PI(32:1) 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) Pipecolic acid 849 C00408 Plasmalogen(20:4/p18:1) Plasmalogen(p16:0/20:4) Plasmalogen(p18:0/20:4) Plasmalogen(p18:0/22:6) Prostaglandin D2 448457 C00696 Prostaglandin E2 5280360 C00584 Prostaglandin J2 5280884 C05957 PS(18:0/18:1) 59720717 C02737 PS(18:0/20:4) 24779545 PS(32:0) 3081382 C02737 PS(32:1) 52925229 PS(32:2) 52925230 PS(34:1) 5283499 PS(34:2) 46891802 PS(36:0) 9547096 PS(36:2) 6438639 Pyroglutamic acid 7405 C01879 Pyrophosphate 644102 C00013 Quinolinic Acid 1066 C03722 Resolvin D1 16061135 Riboflavin 493570 C00255 Salicyluric acid 10253 C07588 Sedoheptulose 1,7-bisphosphate 164735 C00447 Sedoheptulose monophosphate Shikimate-3-phosphate 52923351 C00157 Shikimic acid 8742 C00493 SM(d18:1/16:1) SM(d18:1/26:1) SM(d18:1/12:0) 44260123 C00550 SM(d18:1/16:0 OH) SM(d18:1/16:0) 5283590 C00550 SM(d18:1/16:1 OH) SM(d18:1/16:2 OH) SM(d18:1/16:2) SM(d18:1/18:0 OH) SM(d18:1/18:0) 5283588 C00550 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) 44260124 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) 44260125 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) 5283595 SM(d18:1/24:1) SM(d18:1/24:2 OH) SM(d18:1/24:2) SM(d18:1/25:0) or SM(d18:1/24:1 OH) SM(d18:1/26:0 OH) SM(d18:1/26:0) 5283597 C00550 SM(d18:1/26:1 OH) SM(d18:1/26:2 OH) SM(d18:1/26:2) Succinic acid 1110 C00042 Sucrose 5988 C00089 Taurine 1123 C00245 Taurochenodesoxycholic acid 387316 C05465 Taurocholic acid 440567 C05122 Taurodeoxycholic acid 2733768 C05463 Tetranor-PGEM Tetranor-PGFM Thiamine pyrophosphate 1132 C00068 Thromboxane B2 5283137 C05963 Thymidine 5-triphosphate 64960 C07326 Uracil 1174 C00106 Ureidosuccinic acid 93072 C00438 Uric acid 1175 C00366 Uridine 6029 C00299 Uridine 5-diphosphate 6031 C00015 Uridine diphosphate glucose 53477679 C00029 Uridine diphosphate-n-acetyl-D-glucosamine 445675 C00043 Uridine triphosphate 6133 C00075 Xanthine 1188 C00385 Xanthosine 64959 C01762 Xanthurenic acid 5699 C02470