metabolite_name Vehicle-1 Vehicle-2 Vehicle-3 Vehicle-4 Vehicle-5 Vehicle-6 Vehicle-7 Vehicle-8 OPC-9 OPC-10 OPC-11 OPC-12 OPC-13 OPC-14 OPC-15 OPC-16 Baseline control-101 Baseline control-102 Baseline control-103 Baseline control-104 Baseline control-105 Baseline control-106 Baseline control-107 Baseline control-108 2,3-Diphosphoglyceric acid 93.0 139.2 129.9 135.1 114.9 119.1 120.4 103.8 97.8 120.7 122.0 98.5 90.1 127.3 128.7 113.9 74.7 85.0 81.8 85.5 91.2 87.0 70.6 74.0 2-hydroxyglutaric acid 3.8 1.7 2.6 1.4 1.4 2.1 1.4 1.9 3.4 3.1 1.6 3.1 1.3 2.2 1.7 3.2 4.9 4.3 4.3 3.8 3.5 4.1 4.9 2.8 2-Phosphoglyceric acid 1.264 1.309 1.679 2.234 1.557 1.321 1.118 1.676 1.010 1.330 0.975 1.268 1.040 1.057 1.472 1.109 0.668 0.507 0.386 0.424 0.312 0.798 0.419 0.562 3',5' cyclic AMP 0.364 0.399 0.340 0.569 0.291 0.328 0.408 0.307 0.348 0.486 0.447 0.260 0.367 0.467 0.435 0.354 0.351 0.435 0.452 0.425 0.460 0.423 0.507 0.482 3-hydroxy-3-methylglutaryl-CoA 0.191 0.199 0.156 0.233 0.270 0.189 0.185 0.198 0.169 0.152 0.149 0.133 0.220 0.175 0.163 0.152 0.114 0.145 0.141 0.204 0.139 0.161 0.175 0.137 3-Phosphoglyceric acid 10.74 12.80 19.24 20.62 13.63 12.92 11.28 13.60 9.57 12.02 9.35 12.04 10.50 11.91 13.70 10.45 6.63 6.31 4.14 5.03 6.11 7.73 5.38 5.90 6-Phosphogluconic acid 42.2 37.0 35.2 46.9 43.4 38.8 52.1 38.9 34.3 37.3 40.2 29.7 41.0 50.3 38.7 37.8 21.4 32.5 22.1 36.3 26.4 21.7 30.5 37.6 Acetyl-CoA 14.96 9.24 7.36 10.83 18.99 11.58 16.43 15.95 13.49 11.26 12.97 11.62 11.61 14.60 8.51 10.14 9.99 11.93 7.28 12.47 6.76 6.76 8.54 10.12 Adenylsuccinic acid 44.2 50.0 30.1 53.3 39.8 43.5 49.4 42.7 38.5 46.7 59.7 41.8 53.3 56.4 50.1 47.3 43.5 50.1 65.3 84.3 52.7 51.8 58.6 61.9 ADP 1042 1003 1025 825 1027 898 892 1059 1086 924 944 986 902 892 935 940 807 742 762 579 941 836 808 739 ADP-ribose 52.5 31.5 25.3 49.2 37.7 25.8 37.9 26.7 35.6 32.0 57.0 21.5 12.8 26.6 42.9 25.2 34.9 46.7 43.3 53.6 41.6 19.6 45.4 37.8 AMP 1426 1301 1337 1499 1387 1350 1253 1355 1458 1490 1753 1562 1356 1540 1526 1394 1226 1433 1423 1452 1587 1590 1741 1549 ATP 1135 1072 1141 673 1164 810 791 1135 1077 735 607 827 755 665 672 803 671 513 421 261 586 498 449 340 Cis-Aconitic acid 1.6 0.8 1.3 1.0 1.4 0.9 0.8 1.4 1.4 1.3 1.5 1.6 0.5 0.6 1.0 1.3 1.6 0.8 1.3 1.3 1.9 1.7 1.8 1.1 Citric acid 165 108 135 116 119 119 109 153 162 165 156 163 98 121 113 161 185 124 162 141 209 181 185 130 Coenzyme A 204 193 255 227 212 241 252 242 236 233 200 230 219 223 214 209 177 183 186 193 198 225 191 167 Dihydroxyacetone phosphate 73.0 60.6 37.2 63.9 48.8 51.6 59.3 41.9 66.5 50.9 60.8 29.0 46.6 47.1 56.1 43.5 25.4 34.1 23.8 47.3 26.1 23.7 34.5 30.8 Fructose-1,6-biphosphate 12.41 11.23 11.16 10.51 11.17 7.65 9.29 9.93 9.88 9.50 11.24 10.19 7.94 8.22 9.24 9.31 8.12 8.00 7.05 5.90 8.69 7.81 8.54 8.53 Fructose-1-phosphate 23.51 17.11 13.76 14.38 23.57 17.10 26.88 21.58 15.75 26.33 22.58 23.97 24.58 29.74 19.40 19.82 20.56 17.86 16.48 22.03 9.51 17.17 12.63 22.34 Fructose-6-phosphate 86.1 80.9 60.5 55.7 97.6 64.6 118.9 86.6 77.7 61.9 71.3 74.6 71.5 96.6 66.0 72.4 89.5 67.6 65.4 75.3 69.9 84.6 81.7 90.7 Fumaric acid 458 529 324 461 429 482 509 379 420 387 432 320 512 443 503 469 339 407 568 577 491 367 408 368 Galactose-1-phosphate 13.4 14.1 12.7 16.3 15.3 12.7 18.2 14.3 13.7 13.9 15.7 13.1 14.8 16.8 16.9 12.0 16.8 15.1 10.3 20.9 20.2 18.3 18.7 21.8 GDP 52.2 49.0 57.0 43.4 51.0 45.3 49.9 53.7 47.7 44.0 41.6 46.4 47.2 58.1 49.1 52.8 52.5 44.0 47.3 40.3 51.1 48.1 43.4 42.9 Glucose-1-phosphate 41.7 40.2 31.1 26.8 42.0 40.6 48.0 42.1 31.2 24.8 33.9 33.9 35.8 36.0 22.4 30.7 38.4 28.6 29.3 39.4 25.6 36.0 39.7 42.4 Glucose-6-phosphate 439 404 350 343 506 365 517 404 413 374 403 366 387 461 340 382 412 359 356 427 393 390 435 480 Glyceraldehyde-3-phosphate 2.031 0.734 1.291 1.123 1.699 1.382 2.163 0.818 N.D. 1.277 1.170 1.180 0.710 3.043 0.646 0.617 1.169 N.D. N.D. 1.999 N.D. 0.795 1.468 1.322 Glycerol 3-phosphate 1986 2291 1721 1784 2036 2203 2394 1607 2160 1713 1716 1584 2191 2222 2328 1847 1892 2217 2169 2558 1930 1807 1875 1789 GMP 264 271 251 294 259 285 260 252 291 270 313 290 281 307 266 258 253 291 286 316 309 287 323 303 GTP 58.2 61.4 63.8 35.1 64.5 47.5 50.5 63.1 57.5 36.2 29.6 40.2 43.7 44.4 43.1 49.4 42.3 31.4 28.7 21.4 34.4 30.8 26.8 22.0 IMP 329 524 313 455 396 553 641 301 396 341 405 311 531 596 463 395 453 397 399 454 257 292 369 457 Lactic acid 5352 5240 3797 3503 5056 4733 5876 3758 6815 4074 4590 4176 4193 5193 5565 4627 5005 6548 5974 7155 4734 4527 4828 4640 Malic acid 1165 1308 830 1144 1053 1149 1167 911 1024 991 974 674 1274 985 1282 1200 692 985 1289 1387 1207 797 972 848 N-acetylglutamic acid 22 21 18 34 24 24 27 25 20 26 20 18 16 22 19 13 11 19 13 15 15 16 17 20 NAD+ 684 686 714 712 659 712 703 708 600 695 641 634 662 775 584 665 513 599 566 550 570 606 534 524 NADH 9.51 9.32 8.84 9.24 8.96 9.62 11.69 10.96 10.02 10.19 10.15 10.50 9.29 10.91 9.97 9.25 10.11 7.86 10.09 9.89 9.60 11.14 8.79 7.98 NADP+ 464 486 465 532 458 479 466 472 431 444 461 368 389 472 426 432 280 398 349 410 362 377 383 389 NADPH 24.1 13.5 13.6 12.7 18.6 18.3 30.5 28.4 44.2 25.5 34.7 43.3 23.3 23.9 12.2 26.9 68.4 16.9 56.3 24.6 29.6 44.3 23.7 21.5 N-carbamoylaspartic acid 0.271 0.395 0.304 0.461 0.246 0.286 0.368 0.307 0.273 0.278 0.312 0.248 0.245 0.253 0.387 0.244 0.231 0.373 0.174 0.194 0.342 0.263 0.254 0.184 Phosphocreatine 8.36 10.71 8.65 10.35 7.67 8.42 7.75 7.86 9.49 9.15 8.05 5.67 6.01 6.63 9.96 6.28 10.60 7.99 4.50 3.75 7.68 7.60 5.83 6.36 Phosphoenolpyruvic acid 3.39 4.23 6.57 7.05 4.82 4.54 4.06 4.96 2.94 4.13 2.61 4.01 3.57 3.59 4.16 3.46 2.04 1.62 1.10 1.17 1.62 2.40 1.39 1.50 Phosphoribosyl pyrophosphate 0.142 N.D. 0.177 0.137 0.254 0.183 0.132 0.100 N.D. 0.187 0.153 0.106 N.D. 0.171 N.D. 0.200 0.160 0.133 0.130 0.089 0.112 0.104 0.142 0.133 Pyruvic acid 87 91 72 66 126 107 142 106 143 99 78 176 139 131 132 134 231 119 216 153 146 189 131 121 Ribose-1-phosphate 195 214 145 211 233 216 258 163 209 172 225 176 195 269 212 174 182 210 247 316 193 190 218 247 Ribose-5-phosphate 58.5 56.1 55.2 66.1 51.5 55.4 81.3 40.8 50.8 79.3 76.6 64.8 80.8 102.6 92.6 86.1 67.7 70.0 67.2 69.9 61.3 61.3 73.6 73.4 Ribulose-5-phosphate 24.1 28.3 17.1 29.0 26.2 23.1 30.6 27.8 22.9 28.5 23.7 26.1 26.0 31.2 29.5 30.7 26.0 20.9 23.4 22.4 21.5 28.1 24.7 21.9 Sedoheptulose 7-phosphate 115.7 93.3 76.7 82.0 120.7 79.2 133.4 107.3 119.0 94.0 118.5 101.4 98.0 184.5 90.2 97.2 114.5 108.6 98.3 140.3 85.8 95.5 113.1 133.2 Succinic acid 1300 959 849 882 899 1009 950 824 1059 1083 1107 969 857 979 989 1007 1279 1436 1301 1646 1217 1203 1207 1076 UDP-glucose 493 517 501 456 552 507 542 496 534 504 548 564 481 641 527 469 446 515 453 472 430 508 465 552 Uric acid 5.6 4.8 4.0 6.6 6.0 4.8 7.2 3.7 4.8 3.9 5.3 3.5 4.6 6.2 5.2 4.6 5.7 5.8 14 20 6.5 5.4 7.9 7.6 Xanthine 53.4 66.5 47.1 68.6 69.1 52.4 71.2 46.4 74.0 58.1 65.4 51.9 53.4 71.1 77.9 51.2 56.6 44.6 80.1 102.4 59.4 53.1 65.3 67.6 XMP 0.230 0.257 0.247 0.372 0.333 0.304 0.370 0.254 0.307 0.171 0.199 0.194 0.349 0.567 0.228 0.269 0.372 0.253 0.276 0.461 0.137 0.254 0.167 0.225 Xylulose-5-phosphate 30.4 20.2 27.0 26.5 20.9 23.0 32.5 24.8 16.2 20.5 36.2 19.5 17.7 42.6 22.3 19.1 22.2 24.3 16.7 15.5 12.1 20.2 18.1 30.4 metabolite_name KEGG ID HMDB ID 2,3-Diphosphoglyceric acid C01159 HMDB01294 2-hydroxyglutaric acid C02630,C01087,C03196 HMDB00606,HMDB00694 2-Phosphoglyceric acid C00631 HMDB03391 3',5' cyclic AMP C00575 HMDB00058 3-hydroxy-3-methylglutaryl-CoA C00356 HMDB01375 3-Phosphoglyceric acid C00197 HMDB00807 6-Phosphogluconic acid C00345 HMDB01316 Acetyl-CoA C00024 HMDB01206 Adenylsuccinic acid C03794 HMDB00536 ADP C00008 HMDB01341 ADP-ribose C00301 HMDB01178 AMP C00020 HMDB00045 ATP C00002 HMDB00538 Cis-Aconitic acid C00417 HMDB00072 Citric acid C00158 HMDB00094 Coenzyme A C00010 HMDB01423 Dihydroxyacetone phosphate C00111 HMDB01473 Fructose-1,6-biphosphate C00354 HMDB01058 Fructose-1-phosphate C01094,C02976 HMDB01076 Fructose-6-phosphate C05345,C00085 HMDB00124 Fumaric acid C00122 HMDB00134 Galactose-1-phosphate C00446 HMDB00645 GDP C00035 HMDB01201 Glucose-1-phosphate C00103 HMDB01586 Glucose-6-phosphate C00668,C01172,C00092 HMDB01401 Glyceraldehyde-3-phosphate C00118,C00661 HMDB01112 Glycerol 3-phosphate C00093 HMDB00126 GMP C00144 HMDB01397 GTP C00044 HMDB01273 IMP C00130 HMDB00175 Lactic acid C00186,C00256,C01432 HMDB00190,HMDB01311 Malic acid C00149,C00497,C00711 HMDB00156,HMDB00744 N-acetylglutamic acid C00624 HMDB01138 NAD+ C00003 HMDB00902 NADH C00004 HMDB01487 NADP+ C00006 HMDB00217 NADPH C00005 HMDB00221 N-carbamoylaspartic acid C00438 HMDB00828 Phosphocreatine C02305 HMDB01511 Phosphoenolpyruvic acid C00074 HMDB00263 Phosphoribosyl pyrophosphate C00119 HMDB00280 Pyruvic acid C00022 HMDB00243 Ribose-1-phosphate C00620 HMDB01489 Ribose-5-phosphate C00117 HMDB01548 Ribulose-5-phosphate C00199,C01101 HMDB00618 Sedoheptulose 7-phosphate C05382 HMDB01068 Succinic acid C00042 HMDB00254 UDP-glucose C00029 HMDB00286 Uric acid C00366 HMDB00289 Xanthine C00385 HMDB00292 XMP C00655 HMDB01554 Xylulose-5-phosphate C00231,C03291 HMDB00868