Metabolite_name RefMet_name serum-Con-1 serum-Con-2 serum-Con-3 serum-Con-4 serum-Con-5 serum-Con-6 serum-KO-1 serum-KO-2 serum-KO-3 serum-KO-4 serum-KO-5 serum-KO-6 serum-KO-7 Factors - Genotype:Control Genotype:Control Genotype:Control Genotype:Control Genotype:Control Genotype:Control Genotype:MBC UCP1-KO Genotype:MBC UCP1-KO Genotype:MBC UCP1-KO Genotype:MBC UCP1-KO Genotype:MBC UCP1-KO Genotype:MBC UCP1-KO Genotype:MBC UCP1-KO 11(12)-EET 11,12-EpETrE 3289.2861 1997.2215 1118.0265 8601.7172 2341.7964 2021.8670 5207.2080 1326.9993 2565.3942 1283.5214 544.0074 863.6701 958.6553 12-Oxo-ETE 12-Oxo-ETE 1250.6959 1417.1611 1685.2133 2736.0559 1657.3446 1021.0518 3919.9756 815.1424 1083.7402 668.8146 732.1245 573.0260 662.1026 14(15)-EET 14,15-EpETrE 975.3385 565.7324 403.4570 1873.8452 451.8096 353.8204 1098.2892 380.5679 477.2311 338.9378 66.9200 280.9943 258.1727 1_5-AG / 1-deoxyglucose 20676.0187 30173.1681 25279.2338 27893.2996 31223.3704 24662.6426 30109.8992 31619.8313 27024.4206 23054.2085 30255.6864 20483.9756 27646.6880 15-Oxo-ETE 15-Oxo-ETE 20-Hydroxy-N-Arachidonoyl Taurine 1622.5920 1218.1909 1181.1859 969.8522 1360.0142 1327.1161 1731.6313 2007.0413 1387.1533 1095.6938 1204.4122 1019.9279 872.1683 2-Aminoadipic acid alpha-Aminoadipic acid 7916.3883 28552.0405 16589.8137 17168.3526 17448.5147 15455.9864 19813.1722 20208.6958 16596.5906 23335.1514 22425.2830 7043.3888 18489.2085 2-Deoxyuridine Deoxyuridine 13338.1091 22251.7722 23159.3929 26155.4091 30004.6606 36669.5351 25526.7001 26407.8386 21814.9120 26967.1266 30762.0611 20759.7491 30164.2550 2-Hydroxybutyric acid 2-Hydroxybutyric acid 6219.0574 13413.5390 10735.6704 7808.8811 7763.0091 9231.6191 13272.5293 12016.1153 11491.4017 12775.0200 13932.8837 10274.7473 11270.0820 2-Hydroxyglutaric acid 2-Hydroxyglutaric acid 340793.3794 380598.6583 289342.3876 270413.1857 276688.4723 258649.3331 334956.2522 371319.0961 286558.3920 239022.0558 283899.7777 236721.4183 215586.9725 2-ketoisovaleric acid KIV 9192.8499 6520.9308 6919.7852 5392.2032 7696.8891 7834.6580 6690.1329 7652.9175 7566.2598 7886.3621 7720.1536 5797.9763 5817.1829 3-Aminoisobutyric acid 3-Aminoisobutanoic acid 3-Hydroxybutyric acid 3-Hydroxybutyric acid 190134.3674 183106.4238 263170.1412 92495.2050 114600.7847 82236.9591 330009.0048 490596.3946 335351.5053 264321.0742 216964.8160 83992.4654 207265.8841 5(6)-EET 5,6-EpETrE 602.7956 420.7545 429.0734 844.7154 495.5983 221.6613 747.7337 467.3579 396.6298 707.2876 484.4805 473.3837 373.3379 5-MTHF 2022.7857 3478.4034 3913.0746 2891.1882 3174.1124 3115.2479 1048.6440 2088.4840 2485.5129 4312.4116 4093.5291 3973.4040 3142.9909 5-Oxo-ETE 5-Oxo-ETE 1267.1163 760.9816 982.4858 1200.4678 1356.1315 792.2722 1665.3815 814.6823 1010.8076 755.9268 846.6417 952.2808 846.6699 8(9)-EET 8,9-EpETrE 1455.6364 1479.1669 955.5843 4090.2830 1423.4543 1387.2637 3041.6521 859.5598 1373.0913 618.5003 494.7952 349.4197 690.7348 Acetoacetic acid Acetoacetic acid 2458.5568 2203.7470 3983.7993 1283.0107 1528.9810 1214.4720 3349.9222 6748.2833 4141.2765 1688.8229 3201.3673 1596.0876 3053.6131 Aconitic acid cis-Aconitic acid 1109521.2000 734655.1445 779740.7685 764333.3543 589622.3658 596270.8863 781478.8524 682127.7956 763123.8693 592012.9565 493431.2435 690262.6604 564731.4974 Adenine Adenine 136.2510 372.0611 208.5998 193.5066 327.7831 396.9744 295.4863 381.5826 351.7402 341.2617 267.1986 208.6170 369.9315 Adipic acid Adipic acid 2841.8398 4141.1795 4346.5962 4525.6321 5457.9919 5805.8482 3285.4470 3830.1913 3888.3365 3889.2404 3913.3348 3581.6605 4666.2183 ADP ADP 3099.4210 1892.2669 1262.8027 3101.2234 2102.6377 1889.5358 2579.9048 1603.6352 1708.6399 1659.4033 861.4422 1093.2252 979.8201 a-Ketoglutaric acid 2-Oxoglutaric acid 1656839.1050 1487520.9410 1329193.6050 878516.9360 1066257.1670 1285964.3920 1099337.2310 1497425.5090 1168961.8430 1291269.6910 1409278.5970 1720666.8600 973857.1781 Allantoin Allantoin 281079.7625 284455.5521 296997.9680 260457.7842 326748.9775 330909.8040 239313.5547 271361.9647 264666.3290 327767.2543 244789.1165 297177.9882 267943.0627 AMP AMP 775319.9221 51919.1867 477254.4130 2059575.9690 475433.1291 215255.3578 228291.8154 84389.7934 437575.4030 216707.6047 3356.9327 90031.6430 242894.3972 Anthranilic acid 2-Aminobenzoic acid 5040.2139 4135.2412 4032.3855 4641.3940 5578.7273 3805.6155 3671.0619 3542.0249 3194.2538 2440.2066 4057.0473 2397.1608 2777.6270 Arachidonic acid Arachidonic acid 403770.2818 439116.8969 423181.8433 353920.4193 365265.8837 320855.1819 428238.3757 376040.7099 465073.2981 415121.8228 413320.4523 338282.9731 323802.9908 Arachindonoyl Phenylalanine 205.3476 109.6989 87.2609 128.4453 128.3457 112.8050 129.5522 59.2058 134.7466 114.7561 59.5697 112.0085 166.3135 Aspartic acid Aspartic acid 59141.1711 61152.6722 62953.9178 84230.4000 71462.6443 52485.9163 46908.6864 40662.5039 41487.6016 43374.6262 53918.0411 47076.0785 55223.7465 Atorvastatin Atorvastatin ATP ATP 416.4391 334.3814 223.4903 370.2742 240.4688 752.1853 429.4673 319.5156 219.1513 246.0250 256.7279 240.0712 BHB-Leu 243.9226 1335.2539 386.0714 253.9136 132.0159 170.6028 298.2112 207.6861 214.6827 462.6570 BHB-Met BHB-Phe 1428.8594 3660.4478 3265.7769 1070.5320 2788.0768 2297.9843 4011.1747 3608.6467 4488.2544 4960.4023 3540.2227 3036.2964 3194.6209 BHB-Val 2375.6181 2133.6239 1175.9598 2613.9356 2213.1875 2580.0068 2092.2432 1499.0509 1623.9306 1487.2879 1287.9547 1231.1964 2449.6720 Bilirubin Bilirubin 36239.5125 27440.6593 23530.8781 13679.9592 10395.7042 14752.1166 24517.0302 23372.9663 23088.2435 24453.8288 20114.4094 23435.6543 43242.5196 Butyric acid Butyric acid 30339.4347 42742.3470 42811.1576 32741.8690 44683.0889 36892.0618 33195.5708 35553.2394 40773.7272 39946.4315 43704.1199 33273.8289 36417.3072 C12-Phe NA-Phe 12:0 C15-Phe NA-Phe 15:0 C16-Phe NA-Phe 16:0 1342.1848 934.4942 881.2334 777.4417 949.8852 921.6378 1164.7569 1287.2812 948.2551 740.3461 724.2783 1159.7638 1198.1244 C18:1-Asn NA-Asn 18:1(9Z) 1519.7270 1347.1158 1541.7179 1261.9301 1368.7659 781.3991 1658.7180 1058.3544 930.4328 1214.9521 652.1253 982.3573 1524.0216 C18:1-Gln NA-Gln 18:1(9Z) 6389.3897 9463.0462 10916.9623 6432.1499 8379.0454 5214.1544 6551.9624 7374.7944 8378.6695 5325.0708 10827.3245 6620.1205 3735.5444 C18:1-Glu NA-Glu 18:1(9Z) 867.2349 1350.1539 1117.0813 1195.0616 1012.6449 1325.0419 1199.7304 1452.3223 1126.3438 799.6142 1447.1937 814.7266 910.7723 C18:1-Ile NA-Ile 18:1(9Z) 975.6114 1265.7939 618.5596 845.9979 843.1243 789.4968 769.8781 581.6482 767.7252 817.0645 727.6757 703.5003 586.8859 C18:1-Lys NA-Lys 18:1(9Z) C18:1-Met NA-Met 18:1(9Z) 859.6760 746.9809 575.4830 756.6432 593.3894 512.4532 1064.7281 621.5743 752.0940 585.9469 741.3657 568.5806 686.0495 C18:1-Pro 30231.9214 14775.8590 15748.3139 22307.6881 22193.4382 14888.1128 32022.9115 25538.5546 18744.7674 26291.0887 14437.6534 15258.1498 17876.9998 C18:1-Ser NA-Ser 18:1(9Z) 1188.8198 914.8915 1092.4494 496.0992 771.8861 687.7225 810.1187 672.3860 548.7769 920.0662 1079.5702 739.2879 752.7942 C18:1-Trp NA-Trp 18:1(9Z) C18:1-Tyr NA-Tyr 18:1(9Z) 724.9780 361.9165 337.1615 510.9347 373.6090 427.8386 695.9513 499.5333 271.7979 302.1738 475.8593 354.8796 356.2364 C18:2-Phe NA-Phe 18:2(9Z,12Z) 931.9246 460.2792 857.7201 729.2692 680.5051 674.3579 910.9719 814.9333 736.2926 380.2825 809.1366 726.3632 785.7639 C18:3-Phe 8594.6391 7811.2973 7722.6047 11156.4734 6576.9594 5567.6832 10435.8919 6622.3064 7575.7292 7701.3300 7004.8972 7673.4533 6836.6317 C20:4-Gly NA-Gly 20:4(5Z,8Z,11Z,14Z) C20:4-Phe NA-Phe 20:4(5Z,8Z,11Z,14Z) 162.3545 130.4453 75.1724 12.7808 175.9922 107.8038 108.2791 146.2304 161.6342 145.3178 147.3011 129.9328 172.0998 C20:4-Ser NA-Ser 20:4(5Z,8Z,11Z,14Z) C20-Phe NA-Phe 20:0 C22-Phe NA-Phe 22:0 523.0641 482.9464 571.9583 566.2365 618.5248 364.6839 891.9581 398.1720 468.2346 454.5307 331.9433 467.0703 432.9651 CDP-Choline CDP-choline 560.2107 343.4933 711.9756 1178.7740 339.9615 214.0136 2135.5793 149.7239 219.5172 398.2930 25.3839 280.8372 166.0906 Cholic acid Cholic acid 361591.1976 15181.3731 4135.1960 1472.6015 10734.3862 1613.6918 20137.3148 1757.8427 1694.7185 797.9146 2695.2263 285298.6302 8275.0333 Citraconic acid Citraconic acid 8285.5841 10495.3520 11261.6414 9953.6187 16591.3961 10406.8952 10606.4123 10296.6996 12640.0211 10668.2559 9693.0588 8370.2519 8678.4751 Citric acid/Isocitric acid Citric acid/Isocitric acid 26884307.7300 29361572.5600 27981771.4800 28111947.6700 27242043.1800 23456237.9300 20660959.0700 21789238.4100 25648323.7000 23507739.4700 23496280.2500 27866594.9500 25938915.4300 Citrulline Citrulline 465636.5313 663758.0031 497824.5976 349677.9009 546867.3756 659865.2680 515794.1564 608282.0242 499318.5139 574559.1321 702906.9653 679649.5245 470645.7450 Citrulline-d7 Citrulline 86961.0107 104870.7832 107117.6952 83986.9270 86645.8917 109148.3060 122873.9203 129687.3153 126273.5659 118943.3795 124963.3021 85188.8216 90862.3662 cyclic-AMP 3',5' cyclic AMP 844.4157 842.9847 630.2671 1119.7347 915.1051 1783.6769 779.0990 823.2387 621.2189 2864.8261 968.8102 2647.0603 4043.8686 DDHAP/Glyceraldehyde-3-P 49124.6937 43949.4020 41295.2562 103690.1742 39236.8199 24904.2909 67624.6983 24963.2480 29057.8040 13302.2698 17586.9466 16011.3557 19370.6663 Deoxycholic acid Deoxycholic acid 66936.2335 22012.1881 10984.0405 2645.6899 5743.5750 4866.2742 1872.1459 3907.7425 978.2754 3833.6025 4585.9818 65034.7983 2759.4497 D-Gluconic acid Gluconic acid 1562949.3270 2618019.8650 2650457.1180 3028779.6390 3065316.0760 2558281.4360 2468290.3130 2792527.9270 3033537.9270 2517590.3470 2490301.9950 1677810.9650 2473957.3540 DHA DHA 1360750.4850 1446391.4390 1512442.9980 883465.2692 1442141.6700 956765.1026 1245953.8510 1252981.8380 1539006.0530 1402717.5160 1356469.4690 1006012.8670 1020353.5430 DiHOME DiHOME 4927.0125 1162.2218 1680.4221 1124.3655 2333.8627 1332.0747 1458.8494 1524.0237 3092.2799 2373.1686 1636.8114 968.9588 1129.0597 Dihomo-Gammi-Linolenoyl Ethanolamide 2823.9084 2182.7819 2242.0264 2276.1656 2632.8749 2277.7259 2768.7247 3339.9667 3068.4061 2500.2639 3516.7715 1630.9147 2351.2085 EPA EPA 7433.6269 9389.0567 10534.5044 6977.6887 9499.0245 8086.8617 9375.1114 7679.4493 11911.8136 10235.3076 9310.9230 5160.2364 9570.4198 Fumaric acid Fumaric acid 19122.0955 12758.3884 8025.6076 14193.9528 9417.2789 11458.0135 14863.1368 9946.1999 11429.4755 11227.1318 7846.4781 12591.0661 10287.2717 Glucose/Fructose/Galactose_waterloss 79895.2668 114030.6870 133124.1228 87472.0641 126015.1571 114709.1819 90591.1616 98047.2279 111667.5887 136695.5901 130009.9456 103665.2955 97493.5760 Glutamic acid Glutamic acid 244427.2740 340580.0652 314825.9770 375546.8318 309472.0874 288977.5729 251283.7222 196213.5697 189607.7191 189305.2386 283794.6194 243734.1173 285349.4847 Glutathione Disulfide Oxidized glutathione 19180.9390 18351.0875 15520.3354 33866.1719 15248.9771 9562.5790 18939.2107 8518.7367 11036.0754 10056.8427 9393.9277 6755.4918 11291.2084 Glutathione_reduced Glutathione 58704.8736 35644.9426 37942.8694 50158.1099 55487.0085 43840.5572 24954.6147 26881.8365 34418.2522 28727.0408 33293.1545 21320.9933 34493.3796 Glyceric acid Glyceric acid 3461.1820 3371.2695 3752.7163 3585.7304 4106.6580 3392.9408 3320.1823 3071.4600 3351.2567 3186.8912 3201.8062 2766.9882 2777.3149 Glycerol-3-phosphate sn-Glycero-3-phosphate 262056.1947 385907.0448 379931.1876 418231.4548 355299.2861 348858.9618 305028.9175 225994.0258 282356.6133 221919.3409 285474.2789 242143.4143 386346.9008 Glycochenodeoxycholic acid Glycochenodeoxycholic acid 90894.3480 7032.9252 3166.4602 2915.8963 10062.3721 6264.8872 105295.0349 55712.1993 2427.2412 2511.0436 2709.9514 18354.3592 3741.9073 Glycocholic acid Glycocholic acid 787831.0012 28636.8344 13945.9291 23193.6254 61660.1768 63940.9408 135975.0299 24299.8693 4473.6463 4860.1610 17070.1827 439450.3014 47210.1697 Glyoxylic Acid Glyoxylic acid HETE HETE 1179644.5380 769333.4931 727562.0667 3032731.0990 1043094.9210 892978.8462 2665503.8340 554600.5803 919502.3034 322712.6787 295239.4907 242737.4213 456651.8829 Hippuric acid Hippuric acid 2127.1407 3153.2600 5149.9013 3657.4639 16459.3491 24454.2459 5591.3602 4841.0365 3589.4754 3344.8688 7591.8703 9386.2198 12986.5703 Homogentisic acid Homogentisic acid 1075.4789 1664.1085 1503.8911 1165.6149 2240.4051 1644.5284 908.2727 1765.1918 2077.0600 1468.8015 1026.9359 643.8330 727.1937 Hydroxyphenylpyruvic acid Hydroxyphenylpyruvic acid 18958.1805 24386.1927 20394.9919 13498.3722 23571.1881 20674.7816 17472.5272 22446.8251 19179.3543 17656.4819 22283.5020 19972.4045 16189.5668 Hypoxanthine Hypoxanthine 225671.2051 52865.7568 175977.9237 48879.6770 140057.1060 22995.2771 148849.0588 9674.2515 17944.1794 23695.8187 571.6829 9219.0843 21543.0147 IMP IMP 595.5869 610.8253 579.5572 394.1211 996.0670 525.4614 530.6807 382.3171 437.7842 505.6547 527.8817 214.3159 316.9568 Indole-3-carboxylic acid Indole-3-carboxylic acid 611.4687 925.0612 919.9208 1351.5345 846.8013 1070.4043 1039.4116 380.8949 791.9391 701.0358 1195.2423 1042.4816 1144.7820 Indole-3-lactic acid Indole-3-lactic acid 96390.1359 191286.3742 143496.4630 196139.4116 235325.4043 207702.8306 184280.1049 300317.5730 231906.8219 181711.5898 131985.8524 87507.1645 203310.1399 Indole-3-propanoic acid 3-Indolepropionic acid 1610.6782 3071.8035 2016.2059 1215.2651 5764.2380 1542.3920 406.9654 169.2735 1840.4346 2746.1022 2634.8130 3462.9239 3148.3644 Indoxyl-sulfate Indoxyl sulfate 448632.3961 847994.8679 824954.5313 284143.0860 778863.5570 546348.7576 640253.4619 658905.3592 636390.6349 1296854.1690 858412.5172 423532.5190 645122.1383 Inosine Inosine 499482.3056 225407.2669 611218.0412 237909.4871 636158.1036 487062.4839 589772.5962 98810.5370 132369.1924 289141.7130 32038.5954 190686.6579 302943.0051 Inosine-15N4 Inosine 3872409.1880 3614563.8000 3537002.4870 3570953.0410 3631974.2730 3687360.1370 3592797.5320 4151262.5880 4118867.5290 3944810.6500 3684155.1510 4323356.3040 3813582.4580 Keto-isocaproic acid KIC / Keto-methylvalerate KMV 16077.9917 41978.5713 35362.3838 39762.9008 46181.5568 47506.9450 43369.9573 34569.2430 35437.9037 42634.2479 39629.3150 25775.4082 39812.8619 Kynurenic acid Kynurenic acid 97814.5966 90281.3158 59007.7459 88418.1245 81995.2052 78936.2779 112200.1883 162910.0658 119031.2966 82026.7309 74913.5705 51820.0342 73124.1469 Kynurenine Kynurenine 10822.9192 9040.7221 9888.1754 14723.7863 10226.6041 12890.6041 14223.2414 15483.5050 11676.5862 10045.8875 10886.6852 14605.3864 13045.1257 Lac-Arg N-Lactoyl arginine 282.2808 281.9769 317.7346 492.6747 293.1387 398.2221 233.4308 529.6920 141.2104 498.7062 350.7646 300.0843 272.8312 Lac-Asn N-Lactoyl asparagine 10082.5991 8099.3433 9102.0673 7053.7125 8043.0118 8357.4961 8094.6430 9394.8561 8508.2668 7594.9713 8533.7180 10391.6275 9526.6541 Lac-Asp N-Lactoyl aspartic acid 5292.0943 5690.3495 5125.3389 6476.2828 4894.5192 2163.8590 4469.7509 3646.5034 4679.7960 3560.0811 3094.0215 1648.7102 2358.3467 Lac-Cys N-Lactoyl cysteine Lac-Gln N-Lactoyl glutamine 14361.8283 20074.3414 18015.2244 21578.5506 14740.0156 14795.1955 17397.4040 21214.4267 20707.4379 16381.2053 18310.0164 16893.0405 17703.4735 Lac-Glu N-Lactoyl glutamic acid 5532.6579 7423.9882 6512.9156 6196.1709 6312.5331 4808.0446 5263.8929 5503.9866 5796.1195 4554.8827 5185.7737 3293.2955 4458.8205 Lac-His N-Lactoyl histidine 941.4797 1140.4099 1113.5869 934.2946 1258.7655 986.6508 758.4892 1114.4800 1106.1573 818.7066 1077.4547 1078.5325 1316.0816 Lac-Ile/leu 1216.3346 662.4548 415.0213 363.1474 622.6422 643.3560 524.8884 873.3171 502.9325 727.7064 378.8692 444.4123 590.0107 Lac-Lys N-Lactoyl lysine 363.2161 318.8595 310.3431 251.4736 281.0797 229.1831 223.0949 212.0490 263.6852 232.2461 319.2955 247.5565 285.1846 Lac-Met N-Lactoyl methionine 2204.2520 2284.0702 1382.0749 3946.1377 2789.0720 2700.3485 2294.0755 2324.8498 2064.4481 2581.5841 1588.4871 2200.7724 2426.8094 Lac-Phe N-Lactoyl phenylalanine 30694.9564 18752.2176 8875.3886 33558.3700 15778.7467 30154.7119 17577.8001 13862.8531 13703.7841 17834.7772 11026.8274 19364.3193 17595.5519 Lac-Pro 8990.7621 10856.7852 11925.9835 12683.4727 10582.3262 10746.8753 13334.8501 10676.2238 8750.0799 9507.6168 9902.1230 10195.7751 10721.4422 Lac-Ser N-Lactoyl serine 1581.4549 1771.4797 1748.2965 1754.2774 2217.8520 1468.0263 1582.7073 1556.7156 1566.5575 1539.8861 1740.4342 1726.8807 1217.0991 Lac-Thr N-Lactoyl threonine 809.2765 1409.9356 962.7748 1116.3132 1313.2127 917.4127 1096.5813 1098.3592 772.0262 1675.2196 1291.7269 1180.0631 1329.5985 Lactic acid Lactic acid 4643208.0280 4960312.2620 4745157.5030 5496652.8200 4834797.5260 4863138.2820 4697812.7850 4866678.3990 3737085.5010 4096511.4580 4837982.3910 4486600.3040 4752979.9280 Lac-Tyr N-Lactoyl tyrosine 90031.4402 60316.5707 33380.6844 73470.5625 53636.1162 84724.9919 54804.6724 43322.4641 44843.4045 39868.5602 36414.2706 75875.4524 46563.7872 Lac-Val N-Lactoyl valine 1413.8543 1819.4592 1659.0258 1668.4589 2526.2857 2428.7606 620.5302 1170.1558 1467.9844 2427.0816 2025.6377 1396.7984 1627.2733 Linoleic acid Linoleic acid 93553.6024 89902.3789 93426.8672 88164.9734 94810.0768 88067.2227 83220.0804 94784.3693 103489.6901 92210.0969 84339.6877 69518.7670 93713.1629 Lisinopril Lisinopril Malic acid Malic acid 5876883.3450 7340717.0120 5903853.9490 6175123.6440 5828829.8330 5558142.9250 5366849.9610 4948258.5110 5931873.1890 6126130.9640 5337098.4230 5539316.4250 4903878.1940 Malonic acid Malonic acid 64285.7973 14105.0403 10854.7281 13240.3349 12846.2367 11338.6957 11864.4986 15031.4161 27534.1973 13127.7034 10260.6472 7887.0902 15269.7471 Mevalonic acid Mevalonic acid 41466.6628 72917.6750 58835.5627 63530.4834 89119.6584 54943.2493 59505.7890 42690.6097 60330.9315 42943.9777 37779.8537 38609.4547 46037.2458 N-Acetyl-Histidine N-Acetylhistidine 172038.0881 94336.6981 98751.6442 105143.9190 115554.7898 83186.3222 122409.4262 159904.7146 148711.9196 90023.3750 93018.0241 105857.5729 82291.3061 N-Acetyl-Isoleucine N-Acetylisoleucine 54411.2396 47062.8701 38204.2671 35061.7641 54863.5945 58247.5747 41832.7943 61191.9612 59601.5347 51745.0079 53898.7055 35895.5218 47485.2245 N-Acetyl-L-Alanine N-Acetylalanine 36211.8202 34904.0160 35723.7412 35937.5685 41865.0535 35220.9949 37299.4351 38082.4460 42485.0355 38800.5404 38212.7053 34111.6301 32770.4911 N-Acetyl-L-Aspartic acid N-Acetylaspartic acid 263209.7020 250598.6475 213931.9292 255510.6501 194910.2946 157569.7536 262486.1999 204393.5418 193074.7136 225622.7079 163308.4750 116344.0620 139125.9917 N-Acetyl-L-Glutamic acid N-Acetyl-mannosamine 62976.2804 130874.4056 84304.4216 92407.4977 90182.8154 63424.8942 106025.0231 166855.7681 111731.6935 91961.3809 80324.2544 33619.5832 44385.9905 N-Acetyl-L-Glutamine N-Acetylglutamine 58750.8399 57463.1106 55051.6053 83775.8345 62697.9134 54707.5364 55655.8813 52585.4345 56564.8381 49666.9982 57213.8647 52707.0748 54962.1992 N-Acetyl-L-Glycine N-Acetylglycine 176070.4095 125413.9038 98826.0370 134611.1339 93773.9131 97839.5195 121279.1174 169889.5569 192801.7967 143298.3551 97302.0169 80044.3639 140590.0033 N-Acetyl-L-Methionine N-Acetylmethionine 28969.3986 17538.2280 16655.2749 21670.1257 17010.9359 15572.6809 15860.4669 16560.9270 22208.2892 20868.1056 16982.9421 15972.2531 19012.5930 N-Acetyl-Valine N-Acetylvaline 266.1318 101.9578 225.4629 196.6421 209.8253 136.0184 206.7788 385.1867 218.3629 175.5191 265.8177 99.1312 131.3326 N-Actyl-D-Glycosamine 73.8508 63.2869 223.9518 96.5414 232.4383 343.5597 326.3984 230.9914 217.8436 190.6843 231.6021 299.0400 177.1723 N-Arachidonoyl Dopamine NA-Dopamine 20:4(5Z,8Z,11Z,14Z) 61.5899 292.7606 748.4693 271.6756 681.9602 597.3553 422.7219 235.2665 114.6070 506.7280 1022.6821 1499.8793 576.2326 N-Arachidonoyl Taurine NA-Taurine 20:4(5Z,8Z,11Z,14Z) 5074.3581 8662.1559 6110.8495 4314.3779 7797.0040 6541.1295 4714.6460 5511.7410 5092.8325 5957.4868 5863.9210 4538.4882 4837.6033 N-Docosanoyl Taurine NA-Taurine 22:0 846.3173 1505.7894 762.8336 645.7019 1087.7261 903.6804 897.4192 954.0506 751.1668 990.5480 940.2990 812.4894 834.6184 N-Lignoceroyl Taurine NA-Taurine 24:0 402.8582 130.4354 414.0370 210.9545 285.4012 343.6986 388.7772 326.9858 290.3549 339.8402 135.6971 365.7853 258.0491 N-Nervonoyl Taurine 364.6759 149.4586 231.1192 137.1142 268.5733 315.5720 332.4412 219.8021 219.8358 169.8769 200.0211 359.0244 172.2253 N-Oleoyl Dopamine NA-Dopamine 18:1(9Z) 20.8890 28.9606 62.8570 69.2923 130.2092 74.6295 68.6028 65.4207 15.9883 15.9430 67.7736 253.8341 141.0953 N-Oleoyl Taurine NA-Taurine 18:1(9Z) 10920.0669 6599.3935 7409.5267 7788.6174 6502.5018 6125.0505 9267.8627 7856.8363 8256.5330 6170.4000 7873.0164 6021.0857 7882.4343 N-Palmitoyl Taurine NA-Taurine 16:0 6510.9404 6418.8811 7005.6401 5356.3557 7083.8926 5458.2331 7475.1845 6167.8832 6764.8557 9305.8642 6334.6958 4487.7813 6614.7054 Oleamide Oleamide 574.7867 357.7807 458.6559 356.4476 302.7267 267.5069 347.8954 119.1217 409.9168 320.6730 516.0961 190.4458 293.4643 Oleoyl Glycine NA-Gly 18:1(9Z) 3622.9068 1598.1724 2070.4534 1317.9435 1811.2053 1604.7737 1646.3864 1924.6113 2197.2735 1681.7450 2056.7287 1973.7705 1899.4330 Oleoyl Leucine NA-Leu 18:1(9Z) 2013.8116 1668.0907 1714.8641 1610.5525 1730.4055 1572.5471 2294.2106 2101.5579 2449.3183 1651.7984 2154.4393 1399.4885 2404.4345 Oleoyl Phenylalanine NA-Phe 18:1(9Z) 1246.5718 803.4218 1179.1537 931.4338 824.2048 907.6426 1357.1532 993.7429 922.1310 956.4918 858.3380 1136.4491 1408.9315 Oleoyl Serine NA-Ser 18:1(9Z) 1789.0220 1046.9166 1384.7880 724.3107 1095.9521 1102.9143 791.5366 1086.9355 1072.6686 1508.7000 1512.5780 1361.6382 1023.7742 Orotic acid Orotic acid 367069.6693 393748.0568 406387.5036 322917.6047 431451.8700 309808.8194 283166.5824 357159.0454 427361.4027 438571.7062 331493.7360 299006.2552 349787.5678 Oxalic acid Oxalic acid 3323.6208 4291.8206 4508.8341 8699.8252 5307.6498 2550.9660 2364.5608 3715.8280 4073.7884 3446.2970 3677.3550 4393.0360 2967.8491 Oxaloacetic acid Oxaloacetic acid 26130.0548 22611.9275 27796.0199 23643.2416 22071.6204 20756.0216 26606.3020 31638.4061 27818.6116 18953.8020 30723.2279 31544.1908 22776.4319 Oxypurinol Oxypurinol Palmitic acid Palmitic acid 18843692.7800 21147224.2600 20542494.4800 14242938.2700 22149405.7500 18730920.1600 21291325.7800 22166051.0500 22861170.1400 19855609.3700 20013490.7900 17111613.0400 19038357.1700 Pantothenic acid Pantothenic acid 250760.4539 424808.8441 381273.2914 768858.2118 417817.0898 432281.6932 261537.8922 266184.9926 316109.3325 367054.4963 430502.8802 386246.9410 517305.4887 Phe-d8 Phenylalanine 121651.7564 127763.7112 130369.9726 122603.3352 129257.2706 127069.7928 140478.0777 129595.4328 129259.4998 131059.2489 122617.2490 125019.2347 128139.8783 Phosphocreatine Phosphocreatine 28487.9312 37429.7728 32130.3594 20830.6150 34071.5085 38568.4798 16882.6206 24674.5434 26775.2399 36756.4108 32456.5802 40526.6510 41827.9052 Pravastatin Pravastatin Pseudouridine Pseudouridine 1817192.3920 1283936.3450 1870240.1700 1378238.7760 1399500.4760 1085682.0740 1357010.5950 1504748.7330 1683086.0600 1846265.1010 1219423.5770 1365459.0970 1109580.5230 Pyroglutamic acid Pyroglutamic acid 2666.4544 2869.1563 2293.3940 4202.7517 2565.9318 2332.5401 4408.1018 2181.6209 3047.5147 2521.7722 3012.9894 1890.6720 2118.6366 Pyruvic acid Pyruvic acid 42726.1281 46397.8627 52067.7589 49313.9122 50637.1833 48549.9243 39331.1306 48649.1737 24467.3354 30228.9317 48177.4238 44364.4997 45190.5564 Quinolinic acid Quinolinic acid 20256.4142 35751.2094 31550.5433 35205.8760 33815.6505 27373.8793 47733.9662 85234.2996 33782.6066 30376.0911 35253.7472 18470.8339 20706.0042 Saccharopine Saccharopine 9793.7963 18264.8581 23240.9734 22906.4826 37910.9120 41961.3449 13002.1014 14861.7730 16268.6218 17595.0696 26365.5302 19842.6571 36688.5123 S-Adenosyl-L-homocysteine S-Adenosylhomocysteine 1714.7405 1628.7891 1574.1135 1932.0460 1739.7306 1668.8673 1975.6155 2336.3335 2028.3079 1667.3621 1400.9496 1144.8765 1360.9336 Salicylic acid Salicylic acid Simvastatin Simvastatin Stearic acid Stearic acid 12974619.2900 10202572.8500 10145865.7200 7268803.0220 10401759.1300 7565180.0780 10997000.7900 10609529.5000 10205743.6500 9725589.8590 9154472.8740 9837213.1540 8608229.0880 Succinic acid/Methylmalonic acid 113090.5079 108702.0235 65291.3800 172203.0608 91174.5534 123639.7632 120801.7663 69485.3734 83504.5538 64209.1470 70926.9169 62098.9545 156404.9694 T3 680.6361 2346.5527 2352.3114 2537.6856 1483.1672 1036.6569 1789.5352 1474.1419 2517.8070 2154.1098 2268.1835 682.9453 2208.1884 T4 Threonine 4052.3552 10963.7917 13708.2264 11861.0693 9918.8297 8910.3053 7289.5939 9382.6300 12132.5710 13196.2212 10574.0552 3611.4139 10637.2001 Taurine Taurine 7321343.8720 7720202.8930 8404513.4290 7262645.3190 7687659.3980 8451759.9010 7836353.4310 6819119.3310 6114690.5910 6693949.5390 7636680.7970 8000905.5740 7647283.9760 Taurocholic acid Taurocholic acid 1484667.5760 114913.9582 80356.5744 94579.5710 204580.9088 539329.9577 422554.9658 70418.7889 12680.2817 17597.9403 117897.1724 1846706.0890 200724.8406 Taurodeoxycholic acid / Taurochenodeoxycholic acid 17132.5722 33392.5216 24366.7048 24346.0648 26668.2352 24652.3422 42839.8106 40439.6925 23451.9134 23736.2978 30363.9215 16692.5133 27016.3544 Thymidine Thymidine 1592.9135 2006.4741 2067.4467 2151.1405 2124.6683 1263.1626 2217.1409 1919.0715 2665.3725 1811.8126 1099.7052 861.1028 1860.2272 Thymine-d4 Thymine 251234.7717 272993.0436 275199.8103 283747.0801 289616.8709 305844.8726 284769.8132 299691.3186 284118.3689 286473.2243 280667.2688 267744.4489 295502.2641 UDP-GlcNAc UDP-N-acetylglucosamine 5901.9013 5271.3514 5624.9084 19242.1383 9270.9928 4588.5846 12269.5443 3989.0905 4349.5236 3753.2576 338.1033 2821.7291 6789.1639 UDP-glucose / -galactose 15720.1450 4269.0155 11395.7422 27519.5925 14618.0251 3676.6325 11469.8281 4274.8918 7165.3873 4770.4984 311.5015 2919.4116 7446.5533 Uracil Uracil 45215.9867 47584.1104 40716.1470 53304.6026 49869.8839 66096.7324 51323.7032 41720.0210 46897.9818 37232.2684 31945.0444 31514.8484 38575.1404 Uric acid Uric acid 2192696.7410 2279558.6240 1741825.6320 2490997.5520 2212003.9200 2824469.3940 2666262.1360 1961207.6310 1870431.6010 1823755.5080 1584713.7710 1960146.2690 2084280.0900 Uridine Uridine 73195.2407 140897.6386 100660.4057 177091.8446 198953.7105 198847.4623 205858.3072 166459.0076 219966.0336 165917.1745 119359.3196 170852.4089 274673.1753 Warfarin Warfarin Xanthine Xanthine 738403.1293 223004.6798 417139.1440 121997.6841 331765.7641 75882.0461 454844.9738 28937.6480 85343.0852 98799.9635 1877.6448 48347.0344 74278.3178 Xanthosine Xanthosine 18972.6187 16995.0043 12392.4295 29787.4330 20031.4575 31689.5157 33914.9843 9143.4993 14756.1027 9450.9355 8025.5656 6409.4198 22401.9635 Xanthurenic acid Xanthurenic acid 68261.4925 64333.3621 44842.4066 51465.9441 78361.4950 51676.4586 61558.4912 108630.9528 96038.2760 54729.6867 50073.4221 46646.8005 43204.1190