metabolite_name 1024032574 1024032657 1024032730 1024035470 1024035552 1024041155 1024041238 1024038666 1024038749 1024038821 1024032589 1024032661 1024035408 1024035484 1024035567 1024041242 1024038671 1024038753 1024038836 1024032593 1024032676 1024035412 1024035499 1024035571 1024041174 1024041257 1024038685 1024038768 1024032744 1024032604 1024032681 1024035427 1024035500 1024035586 1024041189 1024041261 1024038690 1024038772 1024032759 1024032619 1024032695 1024035431 1024035514 1024041117 1024041193 1024041276 1024038701 1024038787 1024032763 1024032623 1024032706 1024035529 1024041121 1024041204 1024041281 1024038715 1024038791 1024032778 1024032555 1024032638 1024032711 1024035451 1024035533 1024041136 1024041219 1024041295 1024038720 1024038802 1024032782 1024032560 1024032642 1024032725 1024035465 1024035548 1024041141 1024041223 1024038651 1024038734 1024032797 1024035775 1024041378 1024041451 1024038889 1024038961 1024032948 1024033021 1024033104 1024035843 1024041306 1024041382 1024041465 1024038893 1024038976 1024032952 1024033036 1024033119 1024035858 1024041311 1024041397 1024038904 1024038981 1024033041 1024035780 1024041325 1024041408 1024041484 1024038919 1024038995 1024032971 1024033055 1024035794 1024041330 1024041412 1024038841 1024038923 1024039007 1024032986 1024033060 1024035805 1024041344 1024041427 1024038938 1024039011 1024032991 1024033074 1024035810 1024035756 1024041359 1024041431 1024038860 1024038942 1024039026 1024033089 1024035824 1024035761 1024041363 1024041446 1024038874 1024038957 1024032933 1024033017 1024033093 1024035839 Alanine 568 444 843 767 363 708 42.8 80.2 6.01 501 493 727 470 826 629 43.4 64.5 57.7 186 773 827 592 1040 521 518 30.1 106 62.2 43.7 838 989 698 1090 595 460 NA 368 16.7 133 745 1020 646 956 663 808 NA 21.7 6.88 NA 644 732 374 NA 589 46.8 29.1 38.2 144 572 663 NA 637 466 450 40.8 39.4 1120 44.9 48.5 592 586 555 1210 866 734 117 17.9 8.59 84.7 18 91.4 340 137 296 790 625 544 510 135 88.7 158 237 297 855 454 703 537 170 150 228 428 395 610 63.6 174 253 170 91.6 1030 541 564 209 460 60.4 265 40.5 682 583 477 278 189 378 134 1290 520 512 61.2 116 303 129 144 110 511 522 51.5 68.9 189 218 265 1100 912 578 574 Arginine 69.4 63.5 93.8 77.1 58.9 114 19.9 42.1 5.74 49.5 89.6 92.7 36.2 63.1 64 26.7 23 40.8 7.31 28.4 184 276 267 86.5 59.3 16.9 27.6 34.2 10.2 61.7 141 120 201 103 77 NA 55.8 10.8 18.1 47.4 47.5 97.8 157 17.3 67.2 NA 6.25 5.82 NA 56.6 101 84 NA 65.7 26 3.34 24.2 11.8 73.4 100 NA 121 64.2 67.6 29.4 12.8 38.6 19.7 18.5 105 95.9 97.8 143 4 56.9 104 10.4 7.31 30.9 10.6 33.1 50.6 66.1 39 149 73.6 63.7 110 57.9 43.8 29.9 74.3 62.8 135 79.9 80.4 86.9 37.1 29.6 46.4 48.2 110 103 25.6 105 60.4 74.1 7.36 155 106 63.3 75.2 228 26.6 77.5 10.9 96 108 76.8 72.4 9.39 29.1 14.1 183 63.2 64.3 18 47.2 15.3 10.6 36.2 14.7 88.7 69.4 21.9 35.5 26.5 18.1 23.5 123 147 52.1 88.5 Asparagine 41.6 62.6 57.3 51.6 53.3 80.8 4.75 4.19 3.91 29.3 54.4 40.1 55.3 33.7 51.7 9.24 4.49 3.93 7.17 55.9 55.4 60.7 78.2 54.9 43.4 5.59 4.69 3.47 5.46 59.8 47 65.9 91.3 49 58.7 NA 7.42 3.88 4.4 54.3 68.7 74 44.7 52.3 58 NA 4.28 4.6 NA 67.7 68.7 55.9 NA 59.5 5.04 5.47 5.46 11.4 52.1 82.6 35.5 69.7 44.4 65.8 5.26 5.21 6.48 4.49 4.98 69.7 51.9 78.7 77.5 63.5 47.7 4.31 4.3 4.29 4.08 0 0 0 0 0 0 NA NA NA 0 0 0 0 0 22.3 38.8 NA 62.2 0 0 0 0 33.8 72 0 0 3.03 0 0 41.1 114 62.4 0 0 44.7 0 0 31.6 59.2 106 0 0 0 41.9 142 45.7 84.5 0 27.2 0 0 0 0 137 58 0 0 0 0 0 NA 212 43.9 71.8 Aspartate 30.9 12.7 24.9 16.8 7.37 13.5 24.9 36.8 2.6 31.2 15 60.3 13.8 20.8 29.5 13 35.4 26.3 119 44.4 46.9 18.4 12.4 6.83 34 29.8 31.4 49.6 75.4 55.3 62.9 31.2 19 4.73 5.73 NA 91.5 12.3 45.7 43.3 54.1 25.2 27.7 20.2 44.7 0 4.92 3.77 0 44.9 33.9 0 0 35 28.2 0 6.44 54.8 30.1 24.6 NA 8.35 8.24 3.51 15 14.4 138 37 27.4 13.1 30.6 15.6 16.3 56.5 67 95.3 8.38 5.26 67.5 0 NA 33.2 72.3 250 8.22 51.9 18.2 0 0 0 94 NA NA 10.7 0 2.43 7.43 0 84.2 86.6 NA 0 12.8 15.7 150 102 131 188 19.4 8 7.23 67.2 231 36 NA NA 124 7.59 21.4 NA 142 140 45.7 15 15.2 6.57 74 15.7 NA 10.3 66.9 50.5 14 0 110 49.8 54.9 61.3 131 4.38 2.97 15.4 2.11 Citrulline 56.3 50.1 83.7 87.4 52.7 67.9 4.41 10.3 0.8 23 64.1 111 69.1 122 60.5 2.66 13.6 4.79 17.4 66.7 200 72.2 156 72.1 24.2 7.71 4 8.64 12 67.6 129 74.6 146 86.6 66.5 NA 44.4 0.587 44.3 53.1 92.8 64.8 98.5 57.2 51.5 NA 11.7 0 NA 58.7 93.8 58.9 NA 56.6 4.67 22.7 1.28 28.2 43 58 NA 62.7 66.5 56.9 10.3 7.09 67.8 7.71 1.91 52.4 56.3 80.9 105 60.9 47.3 1.17 2.41 0.724 5.28 7.54 16.3 6.35 95.5 109 200 66.7 63.9 50.4 12.3 99.8 9.91 172 56.2 221 56.8 74.8 57.2 70.1 115 91.1 181 63.7 59.4 31.8 66.8 6.79 49.9 20.2 129 71.1 55.8 78.7 57 18.9 113 50.4 105 63.8 56.8 84.6 76.8 125 29.6 184 74 53.9 42.7 10.7 75.2 52.3 43.1 32.8 60.4 52.7 17.7 13.4 73.8 74.3 58.4 88.5 78.9 59.4 67.1 Glutamine 1160 1320 1210 840 784 1040 9.49 23 5.68 143 1280 1150 870 736 624 8.66 10.4 16.7 17.7 1130 897 1450 764 840 150 10.1 20.3 9.29 19.6 NA 880 2010 972 1300 920 11.2 16 11.4 11.3 1460 1690 1840 1020 763 1210 22.4 5.85 6.7 NA 1270 819 796 NA 998 13.4 5.59 16.7 6.21 877 1180 NA 898 690 896 8.71 9.24 12.7 5.93 15 1170 1300 1130 890 807 1270 47.2 9.56 7.38 31.7 0 0 0 23.5 0 NA NA NA NA 0 0 0 34.3 0 NA NA NA NA 0 0 0 0 NA NA 0 42.7 0 46.1 0 NA NA NA 15.7 327 4.18 59.5 0 NA NA NA 0 0 0 0 NA NA NA 0 0 0 0 0 0 NA NA 0 0 0 0 0 NA NA NA NA Glutamate 544 174 429 261 142 170 81.1 152 60.8 564 216 422 237 222 283 109 126 80.5 199 498 455 256 303 114 522 86.2 53.4 152 44 471 539 655 483 201 115 NA 189 78.9 146 443 369 437 461 175 438 NA 28.1 52.4 NA 340 298 39.1 NA 286 118 77.8 23.6 335 389 300 NA 192 136 106 163 127 258 147 102 186 236 354 295 311 531 134 44.9 104 172 16.1 172 70.3 275 410 202 455 296 90.2 137 195 335 594 205 314 133 229 78.5 550 107 551 452 93.4 310 278 287 73.8 420 667 228 289 326 240 482 163 600 243 362 420 270 363 510 756 365 225 357 192 336 272 863 380 458 454 261 198 145 146 348 515 419 280 179 353 114 Glycine 206 314 261 184 195 204 114 99 70.4 249 337 220 236 117 166 108 95.4 82.9 235 215 289 351 223 151 225 100 136 84.5 182 261 185 230 166 160 214 NA 225 62 198 224 395 194 132 182 231 NA 88.1 64.6 NA 259 302 166 NA 183 106 117 67.6 179 182 234 NA 269 139 195 107 84.3 437 96.9 161 273 446 273 147 214 221 121 82.5 62.5 141 115 107 190 106 102 135 300 176 253 110 135 96.5 131 101 134 258 259 217 133 137 131 126 249 201 119 119 167 121 182 210 274 315 132 370 85.5 132 124 288 187 205 110 133 106 80.3 187 165 235 128 96.5 110 90.4 79.9 123 198 211 114 96.6 101 104 108 312 280 261 225 Histidine 67.8 67 76.1 60.9 58.3 88.1 5.13 3.73 0.919 65.1 60.4 85.5 68.3 67.6 66 3.83 2.04 3.96 7.28 79.4 89.9 94.8 96.4 70 62.2 2.47 11.2 2.72 5.5 91.8 120 82.2 129 71.9 73 0 34.9 2.44 5.36 79.8 81.6 79.2 126 75.3 75.6 NA 1.25 0.955 NA 76 64.8 55.7 NA 68.5 2.49 1.1 3.25 4.09 66.1 78.9 NA 70.5 68.4 60.1 1.03 1.68 19.5 2.47 4.21 71.4 74.8 77.1 133 72.5 66.9 12.5 1.63 1.45 6.8 2.93 3.75 14.6 7.69 8.39 94.9 88.6 83.3 82.7 13.2 5.54 7.11 5.19 1.87 72.7 73.7 88.1 73.6 7.56 6.82 3.21 9.14 65.6 77.7 5.36 10.8 24.2 8.93 5.81 100 78.6 80.1 13.9 46.9 3.62 9.73 4.2 109 80.9 86.6 12.8 7.51 4.87 7.36 95.9 66.3 71.7 7.36 3.2 6.15 4.55 3.68 4.44 78 84.5 5.07 3.33 5.54 7.64 4.92 70.6 87.7 64.9 92.7 Isoleucine 139 140 169 107 83.2 149 22.3 33.3 2.76 69.8 95 121 93.5 108 110 18.7 22.5 19.4 56.6 150 109 155 158 79.2 69.4 15.6 33.2 15.2 12 188 136 184 203 130 88 15.3 114 8.29 46.9 161 158 165 134 105 146 0 8.47 2.6 25.7 145 115 65.7 97 152 15.2 6.94 13.4 40.2 147 132 0 94.2 116 74.7 15.3 9.76 NA 13.7 18 121 147 125 121 158 148 64.9 10.9 3.68 33.5 27 13.8 10.6 2.61 29 0 0 0 0 28.6 32 8.83 0 0 0 0 0 0 38.1 42.4 1.36 32.9 0 0 28.4 13.8 41.4 0 95.2 0 0 0 11 2.87 6.6 2.5 38.5 0 0 0 4.48 23.7 0.404 13.2 0 0 0 161 18.3 2.2 1.48 0 53.1 0 0 67.3 2.34 0 3.09 0 4.17 0 0 0 Leucine 272 255 293 216 174 284 31.5 75.8 5.96 140 185 216 190 203 212 19.9 34.5 56.5 128 273 200 291 260 152 150 31.2 71.8 36.8 24.2 355 269 324 333 229 161 175 197 9.98 58.3 279 273 296 261 199 258 0 17.2 3.49 0 278 215 130 0 256 30.4 22.9 18.7 98.3 278 247 0 175 221 140 26.4 17.8 1030 24.3 25.4 242 257 239 229 269 261 121 20.5 7.62 69.1 20.7 9.36 5.41 0 21 0 0 0 0 29.5 22 2.84 0 41.6 0 0 0 0 35.7 32.8 0 24.8 0 0 25.6 10.3 35.9 0 69 0 0 0 7.81 0 1.75 0 25 0 0 0 0.468 16.7 0 5.96 0 0 0 184 8.81 0 0 0 38.1 0 0 59.1 0 0 0 0 0.068 0 0 0 Lysine 484 574 363 302 385 NA 39.1 65.7 9.7 208 425 378 261 300 542 37.3 42 43.7 35.2 NA NA NA NA 439 201 28.4 47.3 43.5 17.7 NA 499 539 NA 379 505 NA 143 16.6 42.5 404 NA 522 461 315 513 NA 19.6 7.54 NA 620 547 243 NA 338 38.2 24 29.4 30.5 480 487 NA NA 495 384 42.5 20.3 196 32.1 25.1 485 NA 461 NA 397 486 122 18.6 10.4 59.6 12.4 68.4 135 130 128 552 NA 534 491 95.6 65 72.9 254 154 NA 737 520 382 67.1 71.3 179 158 NA NA 60.5 192 46.4 113 64.8 NA NA NA 181 625 42.8 222 60.1 NA NA NA 205 126 139 68 NA 473 NA 29.4 97.8 180 93.6 89.6 120 665 477 45.3 76.4 179 121 189 NA NA 584 715 Methionine 52.9 62 52.7 46 54.9 78.9 10.3 19.1 2.52 1.21 45.6 54.3 39 27.4 50.4 9.16 12.1 12.5 19.7 65.3 37.2 69.2 66.7 45.6 1.19 8.34 11.5 11.6 5.77 58.9 42 53.6 69.6 40.2 66.6 0 45.8 4.68 20.8 59.2 56.8 57.4 48.8 47.8 57.8 0 4.88 2.18 0 55.6 51.9 39.5 0 47.5 11.2 7.4 7.69 23.7 58.2 51.3 0 46.5 34.5 44.7 11 7.41 235 9.39 9.38 59.8 76 53.5 68.3 72.9 68.8 32 5.89 3 20.2 NA 50.7 72.5 70.4 69.8 64.4 89.1 90.6 87.1 62.6 54.7 52.6 83.7 61.2 79.9 85 93.6 81.1 60.9 57.9 66.6 78.8 83.9 89.7 40.1 77.2 47.7 75.6 39.7 88 87.4 83.4 77.5 127 35.8 88.7 NA 57 90.7 87.2 85.1 55.5 77.7 46.1 77 84.4 82.9 43.2 48.2 58.2 52.8 54.3 35.8 84.1 80 32.3 40.7 62.1 73.5 74.7 82.9 83.2 78 87.1 Ornithine 69.4 92.5 61.1 52.4 36.1 44 1.05 3.07 0.62 80 74.4 100 116 110 59 0.693 2.25 3.45 12.4 167 191 81.2 109 66.7 79.2 1.24 3.39 2.12 9.81 106 NA 71.2 116 58.8 47.4 NA 6.57 0.996 4.86 99.6 155 89.5 254 115 64.7 NA 1.78 0.788 NA 124 72.5 44.5 NA 66.7 2.15 2.16 1.66 3.82 76.8 67.4 NA 41.6 42.8 43.4 1.24 1.33 30.3 2.36 1.2 56.6 242 97.9 137 105 78.5 1.12 0.945 0.549 2.33 3.47 4.19 8.89 8.1 7.74 135 190 83.9 74.8 5.34 4.49 16 29.4 14.6 133 99.6 67.3 75.5 4.98 9.57 22.1 17.2 53.6 71.9 4.57 11.8 11.6 7.18 12.3 110 100 106 6.74 10.4 3.64 9.07 14.1 148 87.9 80.8 10.4 27.7 14.9 10.3 164 99.1 82.6 0 3.52 52.8 8.43 8.81 19.7 75 115 4.39 2.03 22.8 11 21.7 74.3 88.1 110 145 Phenylalanine 112 108 117 89.6 60.6 107 13.6 25.3 1.97 57.8 79.2 89.7 72 86.4 88.8 11.7 15.6 18.4 45.1 117 108 118 122 65.7 59.9 12.7 25 13.6 9.3 138 108 133 130 104 74.2 NA 75.1 6.2 31.6 120 109 129 115 86.2 111 NA 7.36 2.01 NA 107 93.7 54.2 NA 105 14.9 8.11 9.6 26.9 121 115 NA 83 92.7 69.3 13 8.09 419 12.3 10.9 89.2 122 100 137 99.4 116 44.3 7.56 3.36 22.4 6.25 31.9 92 51.2 65.5 101 161 123 111 34.2 36.4 58.2 75.1 62.7 111 94.7 117 103 36.1 41.7 47.4 70.5 85.5 116 26.8 27.1 43.8 40.9 10.6 136 133 169 70.2 265 18.1 108 6.24 91.3 122 139 64 24.7 73 19.1 138 115 109 23.1 44.9 42 23.3 27.9 10.7 120 112 19.9 32.8 47.5 52.7 45.7 125 116 121 133 Proline 175 170 147 170 157 239 20.3 19.5 3.66 179 154 262 123 164 177 166 14 13.5 44.8 207 243 182 307 144 204 10.4 251 10.2 12.9 215 249 165 275 108 263 0 270 6.2 42.9 172 238 168 243 200 223 0 4.69 3.23 0 220 253 102 34.8 165 14.7 9.13 5.71 199 193 182 19.9 130 107 144 9.69 8.66 795 8.35 12 218 181 190 268 247 214 37.1 5.21 3.96 22 11.1 37.3 228 40.4 82.1 488 262 442 298 25.6 35.7 582 52.5 58.1 378 277 491 231 46.8 45.1 55.9 83.6 282 352 28 56.8 240 71.7 26.9 364 273 271 65.7 1230 21.7 111 19.9 173 382 318 84.1 36 94.7 27.7 601 301 241 20 31.8 64.1 16.2 27 22 293 207 18.9 30.2 57.8 37.1 35 326 349 227 268 Serine 193 322 214 261 184 317 21.3 39.6 3.25 102 301 NA 203 NA 255 21 19.1 19.9 34.3 264 NA 249 NA 202 96.2 14.6 29.4 15.7 5.66 203 NA 197 NA 148 203 NA 44.4 9.43 13 217 NA 308 NA 181 216 NA 4.23 2.25 NA 291 NA 145 NA 227 18.1 6.68 11 9.91 170 223 NA 207 139 215 10.7 9.65 92 11.5 20.3 274 408 284 346 251 280 57 8.15 4.02 37.5 4.9 33.2 33.7 34.5 87.2 306 195 204 204 26.1 17.5 30.3 56.3 51.1 241 218 190 172 59.2 34.9 24.5 99.9 152 175 47.4 66.7 37.2 53.8 56 207 176 168 91.1 111 8.71 102 4.07 391 204 162 75 11.6 68.7 24 376 184 169 31.4 20.6 18.9 1.64 17.3 29.2 166 180 44.7 26.9 10.9 41.4 32.2 238 259 198 175 Threonine 205 287 178 121 177 305 18.6 30.8 2.04 126 205 162 181 47 260 14.6 18.8 12.6 50.8 247 83.9 210 157 160 158 12.5 27.3 11.6 7.47 181 55.3 172 242 145 202 NA 68.1 3.7 38.9 261 240 239 77 210 252 NA 4.35 2.31 NA 234 118 125 NA 230 14.9 7.28 9.12 27 195 236 NA 188 129 276 11.4 9.18 74.7 6.53 15.7 246 271 228 64.6 244 222 47.6 7.82 3 34.3 10.6 38.6 27.9 39.8 73.6 84.7 NA NA NA 40.5 43.3 31.7 62.1 38.4 123 NA NA NA 15.3 45.9 53.4 97.8 NA NA 26.6 57.7 31.6 59.7 29.6 68.8 NA NA 75.7 209 21.6 141 24.4 32.4 NA NA 113 23.7 105 34 77.8 NA NA 25.9 23.5 40.1 31.7 36.9 31.4 NA NA 56.9 30.6 69.9 55.4 52.1 123 162 NA 314 Tryptophan 79.9 80.9 84.3 81 95.9 123 3.39 5.13 1.16 56.9 79.6 71.6 59.2 72.7 94.5 3.39 3.34 3.33 7.75 72.3 24.6 110 116 86.1 57.7 2.91 5.09 2.51 2.61 113 53.9 110 117 95 110 NA 11.3 2.2 5.97 80.2 60.9 100 66.3 92.9 99.9 NA 1.91 1.1 NA 78.3 37.4 75.9 NA 83 3.5 2.06 2.28 5.64 81.7 97 0 75.2 83.2 79 2.45 1.87 15.5 2.08 2.95 115 96.9 92.3 73.7 91.7 84.5 10.3 1.87 1.43 6.36 1.52 3.98 3.02 3.88 5.44 79.4 107 110 90.1 7.14 5.22 4.06 6.91 6.53 115 85.9 110 63.9 8.1 5.25 4.3 9.37 92.5 85.7 7.4 10.7 8.12 5.79 0 89.7 103 106 9.85 30.1 0.485 12.7 0.242 36 104 93.7 11 3.95 6.7 2.81 21.3 63.2 75.8 19.7 4.71 5.26 0.65 1.21 0.476 114 85.3 4.29 3.77 5.04 2.9 5.11 58.4 72.8 101 85.6 Tyrosine 125 106 133 95 92.4 170 13.6 26.8 1.87 55 81.2 117 81.7 75.4 111 11.5 15.2 17 10.5 129 138 152 180 83.5 56.2 11 24.1 14 9.13 135 132 142 172 102 102 0 78.7 5.13 28.8 123 145 137 117 101 112 0 6.03 1.9 15.8 105 128 61.9 0 116 13.4 7.06 8.32 19.1 116 122 57 93.2 66 80.1 14.1 7.84 415 10.2 10.1 130 129 110 151 142 129 43 7.16 2.94 20 6.59 12.4 87.2 70.6 67.8 161 144 116 106 39.1 31.4 44.2 86.7 81.3 180 111 123 100 32.7 41 55.6 81 99.7 116 26.3 67.9 34.1 61 5.86 159 116 133 69.3 174 17.5 93.4 7.76 63.4 129 130 79.6 23 82.2 19.8 179 113 111 25 52.3 35.6 24.8 34.2 15.7 123 98 20 32.8 40.5 55.1 55.2 151 111 115 128 Valine 235 244 259 211 163 254 25.1 38.7 3.97 207 175 216 181 200 196 23.1 24.3 21.6 105 263 171 238 262 151 207 17.3 62.3 17.1 23.1 299 240 298 354 220 181 NA 208 8.09 69.6 254 284 265 238 181 229 NA 9.06 4.01 NA 269 209 124 NA 228 21.2 10.1 14.9 96.2 254 221 NA 173 204 149 17 10.3 942 15 19.5 223 241 214 199 274 240 72.7 11.8 5.47 46.3 13.1 56.9 254 47.9 82.1 212 358 319 259 52.1 55 72.7 63 73.6 261 215 341 248 58.7 76.4 57.4 130 199 294 40.5 94.3 51.8 76.1 14.3 264 281 366 116 630 28.9 183 11.3 181 317 302 134 37.6 87.6 34.8 293 253 270 45 51 35.6 20.5 29.7 21 264 222 37.2 55.5 80.6 55.2 37.9 225 254 262 298 Acetylornithine 1.05 1.48 7.43 2.36 0.781 0.777 0.337 0.171 0.081 1.05 1.87 4.97 7.24 12.3 0.892 0.55 0.544 0.099 0.791 1.02 6.58 5.36 7.17 4.98 1.25 0.489 0.138 0.128 1.5 2.27 14.9 5.79 5.62 10.9 1.54 NA 0.786 0.243 0.3 0.913 0.519 5.94 10.4 1.68 1.68 NA 0.066 0.054 NA 1.4 2.13 4.29 NA 2 0.41 0.166 0.105 0.168 1.4 1.33 NA 5.33 5.89 2.26 0.069 0.531 4.17 0.157 1.14 1.25 1.24 6.35 6.7 0.44 2.09 0.671 0.355 0.203 0.389 14.5 11.9 6.25 5.51 8.9 20.4 6.4 6.85 11.9 11.3 7.79 9.99 6.54 12 23.5 7.59 8.01 12.1 12.4 6.88 9.42 14.5 8.84 7.92 12.6 5.1 4.82 NA 12.7 11.6 8.48 8.89 8.74 16.3 NA NA 16.5 6.53 6.99 9.29 7.18 14.1 8.02 5.25 11.1 6.24 7.5 25.6 8.48 17.4 7.88 6.12 9.36 6.43 11.6 8.47 NA 5.17 5.45 8.56 11.3 8.82 NA 10.5 Asymmetric dimethylarginine 0.311 0.861 0.591 0.311 0.407 0.291 0.279 0.337 0.289 0.076 0.269 5.84 1.97 0.905 0.342 0.791 0.384 0.328 0.778 0.893 0.134 0.307 0.302 0.084 0.233 0.264 0.251 0.178 0.545 0.305 0.481 0.155 0.222 0.161 0.083 0 0.416 0.235 0.408 0.883 0.104 0.116 0.297 0.354 0.277 0 0.113 0.228 NA 0.68 0.247 0.494 NA 0.477 0.408 0.862 0.348 0.596 0.363 0.347 NA 0.562 0.237 0.489 0.443 0.199 1.01 0.196 0.763 0.698 0.154 0.226 0.345 0.208 0.285 0.573 0.463 0.137 1.26 0.811 0.184 3.75 0.339 2.98 0 0 0 0 4.46 4.37 2.11 0 3.63 0 0 0 0.651 2.46 1.44 0 0 0 0 1.61 0.576 5.03 0 2.9 0 0 0 0 0 0 0 0.947 0 0 0 0 1.16 0 0 0 0 0 4.65 0.231 0 0 0 2.74 0 0 2.81 0 0 0 0 0.668 0 0 0 Alpha- Aminoadipic acid 1.45 0.899 1.31 1.09 1.07 1.2 0.352 0.359 0.361 1.1 1.33 1.47 0.798 2.09 1.6 0.387 0.375 0.348 0.842 1.39 2.01 1.03 2.11 0.73 0.84 0.357 0.358 0.366 0.407 1.93 2.62 1.95 3.98 1.12 0.96 NA 0.437 0.373 0.449 1.17 1.5 1.07 2.76 1.52 1.41 NA 0.376 0.357 NA 1.42 1.36 0.688 NA 0.866 0.376 0.5 0.361 0.767 1.48 1.21 NA 0.975 1.02 0.763 0.366 0.366 0.452 0.354 0.674 0.943 1.1 1.08 0.971 2.92 1.43 0.456 0.363 0.36 0.527 0 0 0 0 0 1.22 2.28 2.29 2.06 0 0 0 0 0 3.01 1.78 2.23 1.54 13.5 0 0 0 1.41 2.47 19.4 0 0 0 0 2.87 1.92 2.01 0 0 0 0 0 2.06 2.65 2.27 0 0 0 0 2.4 1.99 1.82 0 0 0 0 0 0 1.1 1.54 0 0 0 0 0 2.19 2.04 1.88 1.39 cis-4-Hydroxyproline 0.005 0.033 0.023 0.006 0.005 0.009 0.043 0.005 0 0.003 0.057 0.019 0.011 0.026 0 0.028 0 0 0.004 0.004 0.001 0.025 0.026 0 0.024 0.019 0.021 0.028 0.017 0.032 0.001 0.015 0.069 0 0 109 0 0.021 0.014 0.047 0 0.031 0.046 0.036 0.009 0 0.001 0 38.9 0.052 0 0 32 0.007 0.008 0 0 0.207 0.029 0.034 18.8 0.027 0.003 0 0 0 0 0 0.073 0.038 0.015 0.013 0.016 0.038 0.014 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1.05 0 0 0 0 0 0 0 0 0 0 0.947 0 0 0 0.34 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1.84 0 0 0 0 0.03 0 0 0 0 0 0 0 0 0 0 0 Carnosine 0.081 0.064 0.112 0.082 0.084 0.116 0 0.096 0.022 0 0.081 0.072 0.057 0.078 0.078 0.12 0.157 0.373 0.05 0.233 0.02 0.123 0.094 0.096 0.007 0.213 0 0.345 0.083 0.204 0.017 0.173 0.099 0.153 0.17 0 1.06 0.066 0.131 0.121 0.096 0.118 0.066 0.145 0.355 NA 0.129 0.065 NA 0.077 0.088 0.086 NA 0.069 0.187 0.338 0.289 0 0.137 0.08 NA 0.108 0.124 0.075 0.16 0.246 0.621 0.217 0 0.108 0.07 0.127 0.002 0.167 0.066 0.584 0.046 0.016 0.62 0.962 1.1 0.935 0.34 0.782 0.304 0.37 0.492 0.322 0.232 0.701 0.427 0.219 0.972 0.321 0.364 0.262 0.318 0.767 0.725 0.216 1.38 0.292 0.296 0.39 0.44 1.25 0.191 0.836 0.227 0.328 0.346 0.656 0.199 0.269 0.566 1.51 0.297 0.304 0.3 0.227 0.585 0.196 0.44 0.281 0.263 0.331 4.24 0.887 0.304 0.248 0.24 0.372 0.353 0.268 1.08 0.4 0.227 0.26 0.286 0.295 0.216 0.274 0.255 Creatinine 29.8 32.3 38.2 32 28.5 31.9 5.83 0.189 1.38 66.7 30.3 30.5 25.9 25.3 28.2 15.1 0.065 0.485 1.83 39.6 32.1 32.9 26.5 22.9 75.2 0.116 4.65 0.526 0.446 32.2 26.2 32.7 26.8 30.3 30.9 NA 9.53 3.75 2.32 32.3 39 32 22.2 25.7 31.4 NA 0.258 1.72 NA 35.3 29.5 23.4 NA 30.9 0.474 0.237 0.489 9.52 33.4 34 NA 34.9 24.2 26.6 0.311 0.401 6.3 0.007 8.83 30.2 34.7 30 30.2 29.9 27.3 15.7 0.335 2.26 16.8 0 0 2.92 0 1.77 13.6 20.8 14.8 13.1 0.746 0 0 0 0 10.5 13.2 18.6 15.7 0.415 1.37 0 0 16.9 19.4 0 3.81 5.27 0 0 16.1 17.1 17.3 0 8.72 0 0 0 10.1 10.2 18.3 0 0 0 0 14.6 15.4 16.6 61.6 0 0 0 0 0 18.5 11.1 0.092 0 0 0 0 20.4 19.4 12.4 13.5 Dihydroxyphenylalanine 0.133 0.154 0.142 0.176 0.134 0.127 0.163 0.153 0.16 0.197 0.175 0.129 0.161 0.164 0.238 0.173 0.158 0.171 0.232 0.184 0.167 0.205 0.177 0.255 0.209 0.215 0.15 0.181 0.191 0.191 0.146 0.144 0.215 0.175 0.179 NA 0.231 0.186 0.245 0.183 0.149 0.148 0.206 0.175 0.178 NA 0.212 0.224 NA 0.165 0.179 0.207 NA 0.14 0.151 0.179 0.19 0.282 0.179 0.196 NA 0.182 0.187 0.146 0.21 0.217 0.727 0.168 0.223 0.161 0.26 0.222 0.165 0.192 0.223 0.209 0.185 0.198 0.179 0 0.802 2.75 0 0.533 0.222 0 0.136 0.261 0 1.77 6.21 0.138 1.3 0 0 0.292 0.219 1.4 1.63 0.177 2.89 0.11 0 0.46 0.432 0.915 0 1.11 0 0 0.073 0 3.31 0.176 0.573 3.67 0 0 0 0 0.142 0.457 0 0.302 0 0.005 0.441 0.832 0.479 0 0 1.37 0 0 1.99 0.016 0 0.419 0 0.316 0 0 0 Dopamine 0.176 0.16 0.177 0.172 0.165 0.161 0.17 0.163 0.16 0.168 0.162 0.159 0.169 0.17 0.177 0.186 0.164 0.159 0.299 0.168 0.16 0.169 0.163 0.165 0.167 0.164 0.172 0.161 0.197 0.169 0.175 0.173 0.166 0.158 0.169 NA 0.165 0.16 0.198 0.175 0.174 0.165 0.16 0.166 0.162 NA 0.169 0.17 NA 0.164 0.162 0.184 NA 0.17 0.17 0.162 0.163 0.624 0.236 0.187 NA 0.16 0.17 0.167 0.172 0.166 0.162 0.159 0.241 0.173 0.166 0.167 0.165 0.168 0.167 0.17 0.162 0.161 0.24 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.022 0 0 0 0.609 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1.26 0 0 0 0 0.027 0 0 0.245 0 0 0 0 0 0 0 0 Histamine 0.45 0.423 0.472 0.458 0.46 0.501 0.409 0.583 0.375 0.374 0.46 0.457 1.3 0.492 0.451 0.387 0.398 0.383 0.426 0.462 0.56 0.428 0.442 0.472 0.376 0.411 0.385 0.405 0.463 0.545 0.485 0.449 0.459 0.46 0.449 0 0.581 0.384 0.474 0.436 0.446 0.445 0.426 0.558 0.445 NA 0.383 0.382 NA 0.498 0.426 0.417 NA 0.458 0.394 0.394 0.378 0.505 0.55 0.429 NA 0.464 0.507 0.461 0.382 0.398 0.563 0.376 0.389 0.449 0.433 0.462 0.522 0.586 0.459 0.429 0.377 0.374 0.395 0.484 0.397 0.35 0.272 0.522 0.258 0.346 0.326 0.342 0.621 0.652 0.316 0.244 0.522 0.282 0.316 0.371 0.341 0.891 0.606 0.302 0.516 0.276 0.304 0.611 0.476 0.699 0.232 2.37 0.253 0.304 0.347 0.441 0.289 0.272 0.269 4.1 0.386 0.325 0.34 0.302 0.469 0.255 2.27 0.273 0.298 0.331 2.69 0.387 0.26 0.249 0.232 5.5 0.278 0.301 0.892 0.31 0.259 0.27 0.305 0.317 0.361 0.285 0.269 Kynurenine 1.39 1.76 1.31 0.526 1.48 1.59 0.081 0.043 0 1.64 2.03 0.89 0.749 0.686 1.53 0 0.018 0 0 1.9 0 2.04 0.387 1.76 1.75 0 0 0 0 1.8 0.696 1.59 0.967 1.23 2.51 5.77 0 0.041 0 1.73 1.21 1.98 0.405 1.4 1.4 3.34 0 0 0.489 1.78 0.64 1.2 3.79 1.98 0 0 0.015 0 2.61 1.69 49.8 0.804 0.837 1.51 0 0 0.094 0 0 1.53 1.57 1.95 0.068 1.83 1.34 0.082 0 0 0.173 0 0 0 0 0 0 1.49 0.973 1.58 1.08 1.07 0 0 0 0.017 0.666 1.99 0.867 0 2.2 0 0 1.32 0.913 0.163 1.21 0 0 2.82 0 1.24 1.17 0 0 0 0 0.891 0 1.39 2.16 0 0.602 0 0 0 0 0.767 5.26 0 0 0 0 3.99 2 1.11 0.694 0 0 0 0 0 0.26 0.426 1.08 Methioninesulfoxide 1.42 1.15 1.93 1.44 1.34 1.76 1.78 3.81 0.202 28.9 1.34 1.47 0.596 1.15 1.8 0.706 2.85 1.8 2.6 0.935 1.02 1.7 2.01 2.66 21.9 1.65 1.92 1.53 0.244 1.32 1.33 2.35 2.24 1.82 1.84 1.33 2.54 0.318 1.58 1.76 1.33 1.94 2.3 1.75 1.87 1.17 0.561 0.195 1.09 1.73 1.06 1.34 1.11 1.6 1.66 0.491 1.44 2.25 0.968 1.2 0.281 1.82 1.8 1.71 1.31 0.897 14.1 1.34 0.655 1.42 1.36 2.2 1.76 1.6 1.98 4.41 0.891 0.315 1.45 4.48 9.58 11.2 11.4 10.7 5.14 3.89 3.46 6.93 11.1 4.82 7.55 14.3 11.4 4.71 4.2 4.98 4.32 8.35 11.6 10.1 9.71 5.2 4.99 4.78 13.2 0 12 10.1 6.52 6.1 3.24 12.1 11.7 7.23 18.8 0 NA 4.09 3.65 11.2 10.7 9.92 0 NA 2.93 1.83 24.8 9.43 12.4 4.7 7.29 NA 4.1 3.92 7.31 9.65 8.31 10.2 10.4 3.44 4.77 2.32 6.27 Nitrotyrosine 0.27 0.246 0.241 0.231 0.271 0.247 0.232 0.232 0.236 0.238 0.24 0.238 0.24 0.25 0.236 0.23 0.228 0.233 0.244 0.238 0.243 0.248 0.239 0.23 0.242 0.228 0.239 0.234 0.254 0.25 0.243 0.233 0.238 0.239 0.235 12 0.237 0.237 0.241 0.254 0.247 0.248 0.247 0.236 0.236 9.17 0.229 0.235 5.91 0.241 0.243 0.234 27.2 0.238 0.231 0.246 0.231 0.236 0.231 0.239 9.86 0.229 0.241 0.246 0.244 0.237 0.28 0.245 0.234 0.229 0.239 0.242 0.235 0.264 0.229 0.247 0.24 0.232 0.243 0.078 0.31 0.777 0.11 0.755 0.487 0.066 0.161 0.183 5.91 1.93 0.536 0.369 4.2 0.093 0.2 0.353 0.787 1.83 1.21 0.286 1.34 0.106 0.111 2.15 0.626 1.11 0.073 8.42 0.223 0.065 0.109 0.591 0.227 0.628 0.098 0.774 0.099 0.047 0.025 0.615 1.94 0.192 0.93 0.079 0.071 0.066 9.4 0.21 0.183 0.145 0.131 2.09 0.037 0.248 2.07 0.48 0.238 0.17 0.198 0.375 0.084 0.029 0.119 Phenylethylamine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.983 0 0 0 0 0 0 0 0 0 0.205 0 0 0 0 0 0 4.06 0 0 0 0 0 0 0 0 0 6.24 0 0 11.9 0 0 0 3.59 0 0 0.17 0 0 0 0 4.95 0 0 0 0 0 1 0.014 0 0 0 0 0 0 0 0 0 0 0 0.77 0.302 0.424 0.115 0.283 0.163 0.099 0.225 0.047 0.525 0.385 0.186 0.051 0.456 0.102 0.015 0.112 0.122 0.849 0.341 0.077 0.745 0.071 0.056 0 0.258 0.208 0.043 0.859 0.068 0 0.055 0.217 0.021 0.103 0.067 0.602 0.049 0.036 0.036 0.058 0 0.017 0 0.098 0.027 0.007 1.84 0.06 0.018 0.007 0.01 0.796 0.01 0.042 2.42 0.083 0.079 0.054 0.038 0.069 0.043 0.021 0.044 Putrescine 1.31 5.67 8.73 7.28 2.96 8.46 24.3 0 5.29 0 4.77 8.33 7.39 9.51 8.24 5.76 0 0 6.29 13.5 14 3.98 5.29 1.63 0 0 98.9 0 24.4 14.6 8.39 4.77 9.88 4.79 0.73 166 476 3.01 179 8.33 14.4 6.1 7.66 5.43 3.32 386 4.24 0.859 407 7.55 8.35 2.55 367 5.89 0 8.1 0 251 11 6.89 689 6.25 5.66 5.41 0 0 1170 0 33.4 6.53 4.38 6.31 36.2 6.6 1.34 6.99 0 2.97 81.5 0 5.17 51.4 6.63 7.86 2.62 2.13 0.505 0.199 5.43 7.61 28.1 4.54 21 0 1.85 0 0 9.2 8.88 0 11.3 1.66 1.33 10.9 4.71 55 1.01 8.88 1.24 0.24 0.516 0.535 42.1 0.798 0.451 13.4 3.17 0.214 0.556 3.47 2.42 6.24 3.12 4.17 1.45 0 50.1 2.38 12.6 0.487 1.46 4.55 1.08 1.69 0 0.708 11.9 1.84 0.708 2.09 1.1 2.86 0.818 Symmetric dimethylarginine 0.369 0.358 0.585 0.263 0.271 0.458 0.2 0.203 0.211 0.488 0.448 0.304 0.514 0.386 0.426 0.139 0.176 0.158 0.448 0.516 0.419 0.386 0.566 0.382 0.613 0.142 0.165 0.161 0.126 0.269 0.635 0.633 0.277 0.454 0.203 0 0.166 0.152 0.173 0.513 0.388 0.488 0.402 0.416 0.291 0 0.268 0.13 NA 0.478 0.622 0.276 NA 0.432 0.205 0.154 0.124 0.183 0.268 0.391 NA 0.49 0.393 0.45 0.133 0.125 0.403 0.148 0.41 0.52 0.616 0.412 0.7 0.381 0.255 0.201 0.136 0.17 0.406 7.83 0 0 0 0.806 0 0 0 0 0 0 0.056 0 1.79 0 0 0 0 0 0 0 0 0 0 0 0 5.26 0 0 0 0 0 0 0.212 0 0 0 0 0 0 0 1.19 0 0 0.453 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3.51 0 0 0 Serotonine 0.049 0.06 0.076 0.607 0.082 0.177 0.058 0.075 0.012 0.81 0.074 0.126 0.708 1.16 0.159 0.096 0.074 0.018 0.198 0.921 5.98 0.014 0.029 0.047 0.848 0.048 0.073 0.04 0.044 0.945 0.539 0.037 0.797 0.243 0.014 6.43 0.079 0.02 0.142 0.021 0.024 0.021 0.021 0.352 0.013 4.59 0.018 0.009 3.78 0.023 0.095 0.02 5 0.184 0.05 0.035 0.014 0.193 0.024 0.029 5.09 0.046 0.062 0.198 0.08 0.07 0.141 0.019 0.081 0.021 0.029 0.137 0.233 2.12 0.415 0.085 0.013 0.016 0.14 0 0 0 0 0 0 0 0 0 0.296 0.278 0 0 0 0 0 0 0 0.718 0.496 0 0.055 0 0 0.167 0.112 0.159 0 0.348 0 0 0 0 0 0 0 0.018 0 0 0 0 0 0 0 0 0 0 3.74 0 0 0 0 0.302 0 0 0.2 0 0 0 0 0 0 0 0 Spermidine 5.01 3.24 7.91 3.7 2.58 3.26 3.78 2.85 2.77 0.193 2.41 3.08 3.66 3.87 4.14 2.43 2.27 1.65 2.62 6.34 3.61 3.97 1.55 1.33 0.411 2.15 12.4 3.29 2.41 7.85 6.5 6.57 4.79 5.17 0.897 0.205 8.48 2.78 5.96 6.37 5.66 4.48 1.88 4.69 6.07 0.531 3.14 2.3 0 4.52 2.85 1.37 0 4.28 3.02 7.2 3.76 5.91 6.62 7.23 0 4.53 3.75 1.83 2.7 2 10.5 2.18 5.22 2.93 5.3 4.08 3.88 7.85 4.45 3.06 2.87 3.47 4.63 0 0 0 2.44 0 1.68 NA NA 1.53 0 0 0 NA 0 NA NA 0 0 0 0 NA 0 0.423 NA 0 0 0 NA 0 NA NA NA 2.29 2.86 0 NA 0 NA NA NA 2.1 0 NA 0 NA NA NA 0 0 1.83 NA NA 0 NA 2.49 0 NA 0 NA NA 0 NA NA 7.91 Spermine 0 0 0 0 0.016 0 0 0 0 0 0 0 0.186 0.151 0 0 0 0 0.316 0.417 0 0 0 0 0 0 1.43 0 0 0 0.295 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.802 0 0 0 0 0 0 0 0 0 0 0 0.493 0 0 0 0 0 0 0 0 0.068 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NA 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 trans-4-Hydroxyproline 1.29 1.78 1.4 1.5 1.42 1.64 0 0 0 1.88 1.54 1.62 1.35 0.825 1.21 0.866 0 0 0.022 1.29 1.6 2.44 1.06 1.11 1.73 0 0.063 0 0 1.21 0.912 1.55 1.49 1.43 1.52 15.6 0.728 0 0.054 1.47 1.97 2.65 1.07 1.13 1.66 4.46 0 0 4.51 1.64 1.64 1.31 4.32 1.54 0 0 0 0.738 1.25 1.49 1.8 2.64 1.15 1.48 0 0 0.657 0 0.142 1.73 1.76 1.64 1.63 1.46 1.29 0.003 0 0 0.063 0.082 0.235 0.183 0 0.118 1.28 1.93 1.36 2.33 0.296 0.137 1.5 0.13 0.73 1.78 1.22 1.79 1.96 0.289 0.125 0.204 0.201 1.65 1.56 0.105 0.006 1.41 0.047 0.046 1.89 1.96 1.84 0.116 1.09 0.031 0.032 0.439 1.3 1.18 1.64 0.141 0.158 0.059 0.113 1.19 1 1.89 0.16 0.07 0.103 0.13 0.07 0.319 1.19 1.79 0.111 0 0.011 0.115 0.161 1.55 2.19 1.16 2.42 Taurine 173 194 209 147 126 236 174 15.7 0.523 174 248 122 153 128 198 138 16.1 36.6 17.2 162 300 193 184 168 187 4.38 284 17.1 8.74 279 135 265 178 172 97.8 37.2 62.3 40 122 213 171 252 114 173 125 157 2.96 6.72 36.4 233 180 160 70.7 94 5.12 5.1 8.1 11.7 154 196 47.8 264 250 165 1.04 2.51 73.1 3.1 1.48 187 232 201 148 244 141 85.5 5.04 1.47 13.3 77.6 41.4 115 94.6 50.6 106 185 112 164 33.9 12.3 139 9.46 36.6 108 168 205 138 13.6 5.69 14.1 174 150 154 14.3 86.5 201 20 10.4 157 215 188 9.58 259 26 42.1 15.1 209 138 121 58.6 6.12 18.1 0.658 204 158 166 77 7.67 13.1 34.4 13.2 10.2 143 159 9.45 44.3 5.83 68.7 169 155 155 148 171 metabolite_name KEGG Alanine C00041 Arginine C00062 Asparagine C00152 Aspartate C00049 Citrulline C00327 Glutamine C00064 Glutamate C00025 Glycine C00037 Histidine C00135 Isoleucine C00407 Leucine C00123 Lysine C00047 Methionine C00073 Ornithine C00077 Phenylalanine C00079 Proline C00148 Serine C00065 Threonine C00188 Tryptophan C00078 Tyrosine C00082 Valine C00183 Acetylornithine C00437 Asymmetric dimethylarginine C03626 Alpha- Aminoadipic acid C00956 cis-4-Hydroxyproline C19706 Carnosine C00386 Creatinine C00791 Dihydroxyphenylalanine C00355 Dopamine C03758 Histamine C00388 Kynurenine C00328 Methioninesulfoxide C02989 Nitrotyrosine - Phenylethylamine C02455 Putrescine C00134 Symmetric dimethylarginine - Serotonine C00780 Spermidine C00315 Spermine C00750 trans-4-Hydroxyproline C01157 Taurine C00245