metabolite_name C10 C11 C14 C15 C16 C18 C19 C20 C21 C22 C23 C24 HF01 HF02 HF03 HF04 HF05 HF06 HF07 HF08 HF09 HF12 HF13 HF17 5-Aminopentanoate 138.1 208.7 48.7 147.4 36 190.9 74.8 73.7 12.1 39.1 20.6 297.6 232.1 469.2 22.8 18.2 224.4 122.9 369.3 202.7 33.6 11 32.2 Acetate 3781 8567.6 1756.7 1925.6 4130 3307.2 2036.9 2330.9 619 842.9 849.2 4779.8 5534.4 14386.1 1967.4 1769.6 3156.7 2462.4 11955.4 8881.7 3265.4 2291 383.1 4721.5 Acetoin 19.5 37.1 13.2 5.2 37.4 11 5 11.8 4.7 8.8 7.7 42.1 16.5 89.4 3.3 11.8 8.8 12.4 16.2 106.2 577 18.7 0.6 29.7 Acetone 12.7 11.8 18.7 6.6 15.7 14.3 34.9 11.8 27 9.9 10.2 15.4 20.6 66.8 29.4 13.8 20.9 51.7 7.2 12.4 9.4 12.9 32.7 18.7 Alanine 23.1 38 10.2 5.5 36.3 8 6.6 9.1 12.7 9.1 17.3 44 36.3 84.4 21.5 26.4 33.3 10.7 94.6 20.1 55.6 15.1 30.8 26.7 Butyrate 64.6 118.8 12.9 58.6 9.6 85.5 26.7 33 8 18.2 6.1 41.3 53.4 95.4 26.1 12.9 84.7 28.1 115.8 102.6 3.6 8.8 2.2 Choline 6.9 7.7 3.3 2.5 11.6 4.7 1.9 2.5 2.2 2.2 1.9 22.3 7.4 25 8.8 6.6 8.8 3 14.3 13.2 11.8 4.1 4.7 36.9 Citrate 35.2 11 47 65.7 46.8 53.1 34.7 42.9 40.4 50.6 72.1 29.2 12.7 29.4 67.1 47.3 58 57.8 34.9 14 71.2 13.8 25 204.1 Creatine 18.2 14 10.7 7.7 30 11.6 8.8 9.6 12.4 6.6 13.8 59.4 4.7 22.8 17.6 16.8 15.7 21.2 26.7 24.2 36.6 10.7 35.8 25.9 Creatinine 8 5.5 6.9 4.4 4.7 1.9 14.6 9.1 5.2 63 6.9 27 13.2 9.6 Dimethyl sulfone 17.3 6.9 16.8 10.2 23.9 17.9 22.8 11.6 394.1 9.6 20.4 17.3 9.1 25.9 34.1 23.7 10.2 21.5 53.9 8.5 18.2 16.8 23.7 4.1 Dimethylamine 3.9 4.1 3.6 3.9 7.2 3 4.1 4.7 1.4 2.5 2.8 13.5 3.9 11.6 10.7 8.5 9.4 3.6 7.4 6.3 32.7 1.9 12.4 14.6 Ethanol 54.7 74.3 23.7 16.5 25.3 24.8 15.7 19.5 10.2 15.4 14.3 26.4 72.9 78.1 13.5 21.2 23.4 69.6 193.6 47 39.3 28.9 13.8 25.3 Ethanolamine 46.5 89.9 16.8 11.6 130.6 13.8 20.1 4.7 12.1 40.2 57.8 47.9 106.2 16.5 31.4 71.2 30.8 77.8 207.1 30.5 30 29.7 Formate 530.2 13.5 207.6 349 1614.8 241.5 149.6 153.7 54.7 115.5 143 214.2 118.3 231.3 30.3 702.1 172.4 285.7 3189.5 167.8 535.2 29.7 25.9 13.2 Fucose 60 57.2 28.6 31.6 11.3 22.6 34.4 10.7 16.8 69.3 79.5 89.4 69.3 32.2 81.1 23.9 33.3 45.9 33.3 12.7 17.1 Fumarate 2.5 3 2.5 5.8 3 Galactose 57.2 61.1 115.5 93.5 Glucose 75.4 29.7 33.6 112.5 34.4 19.5 56.4 46.5 196.1 124.3 92.7 38.2 101.2 192 119.4 131.2 325.6 1152 105.6 43.7 Glycine 118.5 94.9 37.1 31.1 96.3 91.9 37.7 34.1 20.9 28.6 36.6 303.1 97.6 492.8 66 58.3 82 45.9 162.3 92.4 218.9 35.8 60.5 122.7 Histidine 30.3 22.8 10.7 41 47 8 18.4 15.4 25.6 49 17.9 138.1 37.4 28.1 24.2 19.8 71.5 46.5 81.1 31.9 13.8 76.2 Hypoxanthine 18.2 31.1 Isoleucine 6.6 5.8 13.2 11.3 19.5 6.6 8 9.4 9.6 37.4 Isopropanol 8.5 3.6 4.4 3.6 4.7 5.5 7.7 6.1 4.1 3 3.6 4.7 8 12.4 5.2 10.7 10.7 7.4 23.7 6.9 9.1 8.5 5.8 5.2 Isovalerate 13.8 5.8 17.1 11 7.2 3.6 Lactate 455.1 61.9 245.6 152.9 471.4 128.4 101.5 396.8 206.3 341.8 360 694.1 48.1 141.4 212.3 271.7 263.7 693.8 1591.2 397.7 6357.7 202.1 517.3 13.2 Leucine 15.7 11.8 13.2 6.1 23.4 31.4 25 9.6 30.5 12.4 12.7 8.5 33 Maltose 20.9 45.1 17.9 34.7 23.7 87.7 46.2 108.4 584.1 57.5 Methanol 68.2 59.4 97.4 59.4 99.6 72.9 68.5 86.1 81.4 83.9 59.1 69.6 96.8 108.4 72.6 82 83.6 60.5 96.8 86.4 84.7 64.1 61.3 79.2 Methylamine 6.9 23.9 4.7 1.9 7.4 4.1 5 5.8 1.4 9.1 10.5 7.7 18.4 3.6 7.2 4.1 17.6 23.4 6.1 2.8 2.5 8.5 O-Phosphocholine 12.4 10.7 9.1 5.5 14.6 6.9 6.6 7.4 5.5 6.3 12.9 16.5 4.1 21.5 8.8 17.3 14.6 15.1 27.8 18.2 30 14.9 10.5 43.7 O-Phosphoethanolamine 121.8 44.8 97.1 68.5 85 86.1 55.8 116.6 106.2 78.4 308 60.2 18.2 95.4 130.6 312.7 76.5 292.1 55.8 59.4 265.4 83.1 127.3 409.5 Ornithine 11.8 24.8 58.3 22.3 27.2 5.2 Phenol 26.1 Phenylalanine 16 27.8 4.7 9.6 24.8 9.4 7.4 6.1 9.1 16.8 40.4 38.8 74.5 10.2 25.9 31.1 13.5 50.9 31.6 33.3 15.7 7.4 47.9 Proline 52.8 36 14.9 44 51.7 50.3 66.8 16.5 24.8 22.8 244.2 41.8 207.1 33.6 28.6 64.1 32.2 87.5 49.8 296.5 13.2 16.5 25.6 Propionate 471.9 1574.9 172.4 269.2 484.3 467.2 162 347.6 74 91.9 133.7 576.1 1053.8 2025.7 147.4 244.2 492.8 485.1 2614.2 1191 507.7 209 9.6 19.8 Propylene glycol 28.9 19.8 27.5 8.5 17.9 7.4 4.7 47.6 9.9 45.4 9.9 9.4 11.8 53.4 31.1 19 20.1 13.5 64.4 59.4 162.3 3.9 3.6 36.9 Putrescine 35.2 50.1 30.3 52.5 38.5 7.4 108.1 107.3 146 25.9 49.8 58.9 11.8 41.3 Pyruvate 91.6 153.5 60.2 45.9 338.3 54.2 56.1 53.1 24.5 81.1 86.9 302.8 35.2 161.2 87.2 18.7 81.4 87.7 369.9 394.9 1310.4 78.1 36.3 Succinate 12.1 39.3 28.3 33 191.7 36 29.7 14 13.8 46.8 39.6 97.4 38 49.2 6.1 39.3 73.7 55.3 281.9 60.5 229.4 44.6 11 423.8 Sucrose 14.3 14.3 21.2 61.1 10.7 36.9 46.2 367.1 11.3 Taurine 176.3 166.4 51.2 35.5 245 60.8 44.8 53.6 61.9 41 78.7 285.7 76.2 194.7 95.2 175.5 98.7 51.4 284.1 207.4 94.1 78.7 126.2 110 Tyrosine 38.2 58 20.4 14.9 49.8 16.8 14.9 14.9 8.5 13.5 36.3 69 48.7 135 34.4 59.1 40.7 18.2 129.8 70.7 65.2 35.8 19.5 118.8 Uracil 25.6 31.9 Urea 330.6 361.1 423.5 316 452.4 429.6 100.1 461.5 344.9 766.4 415.8 409.5 974.3 380.1 270.1 690.5 449.6 206.5 966.1 361.9 750.5 709 Valine 10.2 7.7 12.1 6.6 26.4 27 18.4 11.8 22 7.4 11.8 7.7 30.3 sn-Glycero-3-phosphocholine 1.7 1.7 3.3 16 3.9 2.8 3.6 3.9 2.5 0.6 3.3 8.3 1.9 3.9 18.2 25.3 11.6 metabolite_name 5-Aminopentanoate Acetate Acetoin Acetone Alanine Butyrate Choline Citrate Creatine Creatinine Dimethyl sulfone Dimethylamine Ethanol Ethanolamine Formate Fucose Fumarate Galactose Glucose Glycine Histidine Hypoxanthine Isoleucine Isopropanol Isovalerate Lactate Leucine Maltose Methanol Methylamine O-Phosphocholine O-Phosphoethanolamine Ornithine Phenol Phenylalanine Proline Propionate Propylene glycol Putrescine Pyruvate Succinate Sucrose Taurine Tyrosine Uracil Urea Valine sn-Glycero-3-phosphocholine