Metabolite_name RefMet_name WT_30 Rep 1_001 WT_30 Rep 2_002 WT_30 Rep 3_003 WT_30 Rep 4_004 WT_30 Rep 5_005 datg3_30 Rep 1_006 datg3_30 Rep 2_007 datg3_30 Rep 3_008 datg3_30 Rep 4_009 datg3_30 Rep 5_010 datg32_30 Rep 1_011 datg32_30 Rep 2_012 datg32_30 Rep 3_013 datg32_30 Rep 4_014 datg32_30 Rep 5_015 WT_37 Rep 1_016 WT_37 Rep 2_017 WT_37 Rep 3_018 WT_37 Rep 4_019 WT_37 Rep 5_020 datg3_37 Rep 1_021 datg3_37 Rep 2_022 datg3_37 Rep 3_023 datg3_37 Rep 4_024 datg3_37 Rep 5_025 datg32_37 Rep 1_026 datg32_37 Rep 2_027 datg32_37 Rep 3_028 datg32_37 Rep 4_029 datg32_37 Rep 5_030 Factors - Treatment:1 - WT_30 Treatment:1 - WT_30 Treatment:1 - WT_30 Treatment:1 - WT_30 Treatment:1 - WT_30 Treatment:2 - datg3_30 Treatment:2 - datg3_30 Treatment:2 - datg3_30 Treatment:2 - datg3_30 Treatment:2 - datg3_30 Treatment:3 - datg32_30 Treatment:3 - datg32_30 Treatment:3 - datg32_30 Treatment:3 - datg32_30 Treatment:3 - datg32_30 Treatment:4 - WT_37 Treatment:4 - WT_37 Treatment:4 - WT_37 Treatment:4 - WT_37 Treatment:4 - WT_37 Treatment:5 - datg3_37 Treatment:5 - datg3_37 Treatment:5 - datg3_37 Treatment:5 - datg3_37 Treatment:5 - datg3_37 Treatment:6 - datg32_37 Treatment:6 - datg32_37 Treatment:6 - datg32_37 Treatment:6 - datg32_37 Treatment:6 - datg32_37 2_5-dihydroxypyrazine NIST 2,5-Dihydroxypyrazine 697 1609 1008 1860 1130 1530 1000 1255 1149 722 901 1972 1397 670 863 1131 1555 1001 1194 1310 1478 1343 628 1626 1575 808 1674 1492 1220 864 2-hydroxyglutaric acid 2-Hydroxyglutaric acid 508 250 342 374 243 644 315 475 264 230 497 590 425 265 590 569 605 741 640 684 1087 894 912 583 1008 864 937 758 1030 968 2-methylglyceric acid NIST 2,3-Dihydroxyisobutyric acid 9173 4464 2554 4344 4720 9642 4374 5613 5055 3343 5635 4896 5274 5356 6262 3867 4152 3733 8278 3147 11744 6978 4149 4619 5139 3823 8404 4866 4151 3970 3-aminoisobutyric acid 3-Aminoisobutanoic acid 110 547 459 224 21 458 298 154 125 266 263 655 707 229 577 260 178 77 274 328 270 265 202 626 178 174 143 677 268 264 3-hydroxy-3-methylglutaric acid 3-Hydroxymethylglutaric acid 393 319 361 303 466 407 379 371 283 332 391 260 323 396 408 322 206 229 295 285 265 362 274 470 234 358 221 346 391 345 3-phosphoglycerate 3-Phosphoglyceric acid 1930 5061 1694 2541 1865 2119 988 1782 2183 2004 4628 1903 1721 3972 1740 1266 1317 1696 422 725 1173 1327 826 1473 1339 1955 903 1861 1875 3692 4-aminobutyric acid 4-Aminopentanoic acid 4425 5032 5540 3039 7057 2732 1870 1636 2613 1600 2632 2498 2019 2106 1609 3864 2358 2759 1414 2006 3274 3938 1341 6692 3060 2203 3580 1615 2352 1912 5^-deoxy-5^-methylthioadenosine 5'-Methylthioadenosine 376 811 768 592 789 459 546 436 363 534 620 675 385 470 311 502 792 483 265 363 444 646 569 295 710 721 371 637 814 699 5-methoxytryptamine 5-Methoxytryptamine 1423 1769 1070 1322 1445 1075 919 1050 566 927 1416 1158 1043 1259 1020 1320 1823 1602 1262 1092 1345 1010 1216 870 1049 1316 1001 730 1221 1308 aconitic acid cis-Aconitic acid 366 540 577 525 581 566 433 668 305 391 477 609 424 451 512 632 784 997 326 417 394 445 385 608 645 512 310 1013 918 1091 adenine Adenine 4499 11520 5903 276 9991 5767 3130 5525 4732 4908 6043 4774 5047 7153 5035 4795 8456 7403 3621 4414 498 5913 8523 3969 8429 8806 4319 7508 11149 8965 adenosine Adenosine 9049 2129 3312 3488 3626 7616 5672 7455 5059 1175 2428 4230 10846 1655 9441 3244 2455 4163 10995 4991 9329 6283 4601 5179 5973 2469 6903 6211 2484 3684 adenosine-5-monophosphate AMP 9640 20445 12932 17647 18312 18440 10367 14110 13701 17760 27026 17860 11698 24348 13330 12512 12217 14902 8883 9870 13354 18083 16902 15466 18971 18203 12823 17507 17900 17969 adrenaline Epinephrine 2069 1463 1467 1676 1578 1942 1517 2313 1941 1100 1724 1786 2019 1378 1819 1516 1145 1296 2391 1661 2573 1289 1558 1873 1564 1234 2338 2080 1022 1567 alanine Alanine 707832 544770 664138 564008 715970 695401 870311 637693 550817 477839 642033 818986 515272 721849 697553 572752 577375 536571 788818 700315 944701 669970 534584 894537 692419 697183 763624 704948 808304 777170 alanine-alanine Ala-Ala 2206 895 2191 2947 2933 3168 4470 4247 3171 1854 3556 3534 3916 2762 6428 2647 1476 2514 3235 3029 3543 3222 2694 2093 3101 2345 3926 2509 2430 1468 allothreonine Allothreonine 22418 24275 25667 18960 27481 11234 4889 16972 15428 15372 20816 16268 10870 21571 12748 4951 3041 6590 534 2444 4427 5943 4519 3117 7655 9220 1848 6824 8072 7541 alpha-ketoglutarate 2-Oxoglutaric acid 187 203 415 203 210 468 477 650 367 771 705 774 95 953 549 313 1154 1154 294 248 897 1632 1236 509 502 1696 444 620 1389 1164 aminomalonate Aminomalonic acid 3336 4282 3650 5466 1996 2561 2295 3213 2748 343 4503 4937 3459 6543 3186 4060 5213 6336 3000 773 6547 6757 4390 4402 5266 5564 3781 4957 4694 4417 arachidic acid Arachidic acid 1333 2485 2398 3573 3318 1394 3330 2297 1527 2759 2701 2821 3112 1519 2549 1822 940 1618 2673 2338 1084 1891 2514 2654 1509 1776 1997 2325 1957 1903 asparagine Asparagine 21227 13409 15936 16683 18205 22190 21830 20969 19139 12612 23651 21201 20052 22877 21162 19736 21083 19296 23202 17026 26250 20296 14593 20387 22255 20425 19934 19340 22315 20757 aspartic acid Aspartic acid 95261 58628 68449 83352 81544 110267 85243 88833 83127 44330 89419 94838 94237 81728 101405 91908 72400 75102 123104 76969 130982 90119 59231 88441 81482 68645 101522 82362 61661 70071 beta-glycerolphosphate sn-Glycero-2-phosphate 423 919 661 789 619 596 698 634 578 541 487 779 505 760 499 240 381 696 531 415 571 622 718 507 696 614 657 582 997 1013 beta-mannosylglycerate 1702 2828 2101 2620 1394 871 987 926 853 513 1548 1046 930 1058 1015 1413 2999 2276 1052 1242 987 754 533 781 679 1135 1062 1464 1422 1151 biphenyl Biphenyl 539 976 555 844 747 720 425 383 443 506 832 782 547 705 527 1022 1232 948 847 550 1641 782 1089 1002 704 702 709 987 810 1211 butane-2_3-diol NIST 2,3-Butanediol 851 510 578 690 555 698 988 950 955 763 889 785 1153 1169 1363 578 529 884 1324 743 1380 1198 1250 1051 1387 1091 1044 1286 1371 574 butyrolactam NIST 2-Pyrrolidinone 1483 1328 1990 1496 2030 1739 4647 1741 1561 995 1193 1918 1798 1317 2241 2193 1029 1484 2342 1521 2134 2309 1492 2798 2088 1211 2113 2137 1302 1534 citric acid Citric acid 74138 118225 76255 92016 78985 182564 65094 131572 124491 135828 208332 127700 105703 182816 97624 170836 269678 347266 71130 152171 239452 277768 217301 136178 263289 280252 148380 280774 360308 297599 citrulline Citrulline 7842 33614 11823 22078 10193 7572 71727 9895 7692 10401 11758 14856 12160 10868 8687 11089 11463 11404 10384 6473 11005 10102 11080 10872 10098 9662 7715 11078 8977 10594 conduritol-beta-epoxide Conduritol epoxide 91 308 326 273 335 54 425 285 293 227 304 326 319 234 266 258 283 252 262 285 432 192 339 331 113 126 269 165 184 324 cysteine Cysteine 2238 778 1589 1114 795 3255 860 2198 2056 2145 3979 2673 1244 3932 1305 1468 2477 1670 1409 465 2984 2440 1909 1756 2912 2955 1545 1756 3373 2512 cysteine-glycine Cys-Gly 1001 1347 1534 1827 1099 1292 364 2196 1672 3675 1480 2605 3310 3030 2309 1186 2206 1571 1456 1432 1724 3477 2409 2549 5176 3005 1750 2598 2512 2913 cytidine-5-monophosphate CMP 419 668 690 776 524 441 1220 518 501 719 653 736 627 605 569 399 266 381 387 380 337 559 399 476 514 321 293 488 647 582 ergosterol Ergosterol 410 951 235 508 393 804 388 554 258 516 746 814 211 824 56 902 778 1242 315 511 511 446 415 447 847 1239 599 815 1242 696 ethanol phosphate NIST Ethylphosphate 1666 1989 2581 1572 2509 1491 1277 1275 1417 974 1793 1553 1320 1590 1313 1499 1850 1621 1164 1349 1830 1292 1293 1525 1505 1214 1561 1151 1511 1210 fructose Fructose 156 181 261 197 25 156 329 158 187 138 120 291 213 218 281 193 120 115 134 200 159 74 213 238 183 197 184 210 207 265 fructose-6-phosphate Fructose 6-phosphate 374 453 798 230 593 484 842 567 673 1150 1122 1101 711 871 436 491 490 331 331 403 755 690 1220 387 834 1282 666 637 1025 637 fumaric acid Fumaric acid 11898 8569 9847 10005 11194 9153 5980 8351 8238 8238 11521 9972 8090 13891 9238 7060 13073 10898 7223 7105 15706 11358 10047 11397 11080 12721 7462 12848 19444 14609 galactinol Galactinol 20606 36682 26668 31112 26323 55820 28299 36920 33285 43769 22848 16215 10906 18389 10818 7989 12147 10229 6488 5827 18986 19334 16045 18341 21607 6855 6113 11902 11052 3856 galactose Galactose 963 2251 506 1498 3758 667 755 2904 3931 5630 3839 426 5887 4295 593 1333 4085 5552 19207 888 4377 5653 6234 2986 5845 6272 3396 6776 5580 7568 gluconic acid Gluconic acid 271 282 373 336 255 84 371 348 322 361 251 266 295 233 179 214 212 201 287 251 257 268 225 319 256 136 268 430 307 219 glucose Glucose 1279 4031 1563 2513 4824 3176 1970 3734 6182 6641 4733 3592 7121 5689 4144 2035 4624 6947 22354 2216 5715 6412 7467 4149 8484 7740 4244 8598 6888 9195 glucose-1-phosphate Glucose 1-phosphate 1364 2239 1581 1556 1585 768 4239 2287 2253 2936 2425 2070 1305 2072 2066 969 1069 1307 734 1186 1072 1385 1279 1284 1357 1993 964 1216 2194 1662 glucose-6-phosphate Glucose 6-phosphate 266 663 1162 409 813 1261 249 1179 1550 2511 2717 2150 1281 2204 1070 586 540 117 343 443 1678 1525 2113 296 1703 2902 1384 1054 1790 1159 glutamic acid Glutamic acid 639805 759476 673432 627709 597507 675745 502721 501970 545313 485730 796347 624560 466846 757632 515840 563112 706258 633424 459445 425993 660253 571595 495628 610986 635836 594776 587053 536430 826185 617738 glutamine Glutamine 69041 104824 83390 89495 90732 90469 87756 103792 113109 103104 173866 136330 107823 118305 93856 86265 142595 148312 45023 83379 64099 109841 105557 68065 147547 111853 83886 101377 106995 116474 glyceric acid Glyceric acid 1855 2586 1178 1952 1922 2521 2161 2414 2341 1631 1919 1958 3418 1506 4071 1525 1078 1460 6024 1836 4057 1687 82 2664 372 1088 4633 2140 958 1678 glycerol Glycerol 1139577 609345 655081 1040864 445966 1012148 577496 1253640 1173013 1519392 743167 440839 955663 1076235 771553 1224622 995706 991168 1272143 1244014 164497 741107 1322729 481858 729237 663610 831790 262760 342194 302908 glycerol-3-galactoside Galactosylglycerol 501 1017 747 1059 746 986 872 791 702 978 1384 1065 645 1122 650 533 513 579 311 396 803 794 1031 704 1010 964 644 922 746 1118 glycerol-alpha-phosphate sn-Glycero-3-phosphate 25085 24800 39905 27061 37712 32293 7158 26897 27403 20528 26939 46108 31855 35598 22877 40783 50787 59581 29519 36888 47198 58925 45534 47306 58719 64263 49422 67283 73423 68627 glycine Glycine 173811 137763 144122 99773 159561 105905 84765 160964 165612 162392 152348 116644 111411 270522 157568 109021 161150 112754 110247 136952 180559 200917 154955 114040 169255 224855 126160 142171 378695 280463 glycolic acid Glycolic acid 427 1048 1275 1587 782 584 992 804 1532 737 2276 1107 2358 1120 1699 980 616 1017 1945 901 578 797 880 1088 270 752 1112 721 440 775 glycyl-proline Gly-Pro 600 2056 1751 2154 1341 1579 1750 1660 1633 1793 1826 1427 1407 1465 1623 2083 1520 2255 3169 1761 2766 2483 1016 2232 2115 1763 6284 2598 1612 1814 glycyl tyrosine Gly-Tyr 996 662 725 696 667 1041 698 896 713 539 777 891 769 666 1177 780 740 852 856 701 1078 947 859 939 928 925 890 1121 767 940 guanine Guanine 714 942 859 1018 562 844 825 937 746 651 728 945 922 678 888 762 670 627 1066 749 921 714 656 723 592 615 966 614 474 828 guanosine Guanosine 901 450 589 873 572 1082 842 978 903 584 693 919 1181 771 1242 819 687 944 1673 361 1367 1078 498 874 1248 868 1068 1127 776 864 heptadecanoic acid Margaric acid 1318 1629 1137 1650 2119 888 2695 1413 871 2084 1459 1249 1682 1178 1431 771 738 1223 1262 1456 942 1249 1781 1899 956 849 944 1245 1329 717 hexose-6-phosphate Hexose 6-phosphate 399 335 622 417 503 452 385 222 564 981 925 666 745 730 392 390 230 277 261 308 478 511 502 301 495 473 354 334 765 527 histidine Histidine 125493 192949 141303 126151 148817 107087 80436 98362 93317 106192 125786 109375 99562 125656 85704 148821 18840 153222 118967 151498 153661 156562 144643 130925 168215 211006 156566 170059 205487 209679 homoserine Homoserine 949 706 798 798 580 936 781 789 916 616 751 1196 904 812 1050 748 844 879 1266 801 1182 673 429 872 843 527 1014 810 594 719 hydroxycarbamate NIST Hydroxycarbamic acid 724 1015 415 1258 744 1030 2017 345 551 575 927 1624 798 812 975 1220 715 1051 984 575 742 1155 638 736 1111 681 1150 1314 424 710 hydroxylamine Hydroxylamine 4218 10395 7400 9167 9698 10524 27316 6631 4799 7280 8407 17157 8936 640 9463 13164 5735 7171 13594 5713 4065 13216 5443 11219 7038 5695 11120 11026 4062 5562 inosine Inosine 365 382 441 418 341 125 468 486 124 368 86 378 411 341 186 594 270 516 534 382 96 480 421 527 293 380 758 196 346 399 inositol-4-monophosphate Inositol 4-phosphate 325 540 503 485 203 426 304 509 335 637 685 695 440 704 461 403 146 94 349 207 339 439 288 243 501 197 377 520 522 565 isocitric acid Isocitric acid 1060 1408 1144 1305 1007 2354 1086 1684 1741 1486 365 1744 1851 2097 1380 1977 2997 3840 1109 1722 1916 3214 2551 1642 3086 3284 1722 3311 3841 3368 isoleucine Isoleucine 453405 240335 302608 303648 323533 436400 288854 461494 416241 202598 301266 308843 446168 356395 470498 397640 367887 372497 501990 291791 501080 421514 280903 426260 456559 399092 439945 340170 343436 312697 isothreonic acid D-Threonic acid 1187 255 1159 1431 1337 1789 1719 2014 1871 979 1175 1474 2156 1499 2006 1379 950 1635 3033 1818 2360 1642 1652 2257 1967 969 1943 1619 1185 1307 lactic acid Lactic acid 946 782 1535 1422 1906 1496 2410 520 590 1510 1434 1206 1419 1106 2289 1345 678 724 2597 1157 1258 1136 1001 2006 732 765 1064 850 518 808 lactulose Lactulose 206 482 274 229 299 285 625 369 130 434 492 530 517 186 448 288 203 399 550 743 310 498 476 478 296 331 519 379 416 425 lauric acid Lauric acid 6908 4036 5663 4192 13853 3394 10626 4959 3034 1874 6006 4782 4933 4078 2527 3006 3827 5286 2849 6212 13518 8928 3482 7193 11648 2960 3974 3397 8733 5091 leucine Leucine 379269 381938 499515 477039 577627 333781 486689 372929 345788 309702 398024 520583 390440 384260 366173 359656 315021 313493 366268 480984 351882 362962 340646 416370 371101 326811 337811 401030 391113 462902 levoglucosan Glucosan 601 467 618 664 642 667 609 671 434 945 699 548 631 945 715 503 643 631 569 248 707 408 731 632 717 902 683 641 1521 1045 lysine Lysine 854531 1154713 1337500 1357039 1087223 785378 813384 791264 878647 1071685 683282 799608 1068955 726417 880195 1078054 1085260 1010001 853355 1205338 838241 998808 991471 992103 792037 873420 1030270 1131301 1090693 1220056 maleimide Maleimide 5988 1228 2330 2483 3841 6723 1239 3704 4336 1601 2693 3995 4932 3755 6075 5437 2115 3154 10028 4736 9589 5389 3523 5608 4961 3334 4418 4494 2618 3631 malic acid Malic acid 10625 9925 10218 9266 10752 10326 6697 7960 7426 7719 11164 9572 6914 12869 9018 7326 14349 12507 4812 6354 13781 12899 10113 10644 12613 13477 8700 12991 16499 14748 methanolphosphate Methanolphosphate 4166 13505 8936 10500 15151 10183 5286 12031 11170 21018 19795 11279 8435 18749 12856 10119 13757 17641 6489 11351 12916 13716 20990 22517 17510 16768 12030 22481 28024 27891 methionine Methionine 19237 4338 8214 5804 2418 23810 13499 10961 11331 7601 18961 18345 9608 13767 558 15823 14701 7201 9589 2777 28633 17653 7054 8048 9652 17284 18067 7602 12368 10614 methionine sulfoxide Methionine sulfoxide 39290 39845 47769 57387 63168 33684 30183 49348 46348 20725 20137 26114 51676 39066 49803 31087 24355 42976 61838 49537 47217 31435 27857 46370 44042 25444 37826 45841 28814 37931 myo-inositol Myo-inositol 10840 12864 11774 10893 11823 9589 7360 9178 9645 8361 12087 8563 10663 12781 9850 11863 15857 17431 9603 11198 16896 17074 16550 13004 17650 17222 14290 21186 19946 22065 myristic acid Myristic acid 548 594 1037 1351 1380 694 1453 954 658 1241 1149 1154 1256 831 741 745 747 990 1143 985 779 847 1217 1164 601 630 800 880 891 860 N-carbamylglutamate Carglumic acid 342 497 398 452 453 493 1909 384 251 282 505 614 356 377 454 283 356 249 426 402 247 411 321 378 382 319 396 504 309 445 n-epsilon-trimethyllysine N-6-Trimethyllysine 603 782 983 848 734 809 527 682 647 695 579 732 557 718 584 794 851 788 512 636 969 851 823 626 1034 664 472 904 856 1076 nicotinamide Niacinamide 1181 1335 1202 1198 1167 1061 1860 1423 1326 1388 2124 1833 1388 1655 1614 899 925 1029 761 885 1024 1371 736 1208 1523 1640 962 1418 1587 1038 nicotinic acid Nicotinic acid 5252 2181 532 2927 2363 5993 4094 3584 3953 2177 3506 3761 3451 3066 4553 2500 2832 2770 6151 2711 6670 5486 2040 2999 4002 2911 5154 3069 2292 3058 N-methylalanine N-Methylalanine 10379 15324 12851 8833 13266 17539 7560 9415 12069 12536 16509 11647 7727 20418 6823 5844 7611 4822 3354 3549 11337 8569 5936 5581 7768 12690 5195 8526 12225 10992 oleic acid Oleic acid 306 330 2175 624 1096 891 1053 829 525 371 1091 2037 1730 1252 662 403 727 626 795 354 349 667 130 818 783 755 389 927 686 397 ornithine Ornithine 342781 614603 288460 292640 371480 270457 236298 220065 205542 239321 298534 265283 239773 268829 203575 384576 425966 357019 358051 315399 418654 331956 336475 343794 295867 245442 477119 327767 259095 304441 orotic acid Orotic acid 3924 10502 5142 6876 3622 9285 6904 4919 6825 6146 10201 10281 6992 8086 6833 911 512 452 1058 1222 514 1406 1200 3745 1136 1026 3108 1245 2195 1477 oxalic acid Oxalic acid 87 433 263 633 402 349 298 271 367 373 92 406 1311 199 827 261 240 182 151 203 268 312 296 249 384 312 699 86 113 245 oxoproline Oxoproline 284937 217401 210634 249082 223949 332074 367973 319729 283089 172707 259304 334297 350927 243172 430464 271563 233086 250746 381414 235798 385038 314590 216676 289726 300187 211418 334085 275945 204758 217174 palmitic acid Palmitic acid 18431 25725 28291 32150 32184 15238 39821 23006 16541 32824 27861 30029 27496 23175 22318 20917 13206 22945 21861 25069 18212 23302 27737 29642 19107 18006 20148 25519 29849 21434 palmitoleic acid Palmitoleic acid 1493 561 4445 2661 2938 3390 1712 2569 1754 2321 4804 7172 5522 4742 2279 2271 2355 2211 2818 3349 1334 4184 1646 3179 3409 3559 2189 3240 2774 3109 parabanic acid NIST Parabanic acid 1151 1725 1484 1810 1475 1738 9605 1335 1077 919 1151 2440 1661 1438 1525 2614 1032 1844 2200 1313 2701 2564 1462 2304 2274 1231 1978 2189 1177 1459 pelargonic acid Pelargonic acid 13143 15739 24591 16195 14855 12159 24261 14368 13104 11964 17044 21079 20910 15956 13482 13886 13407 11560 14272 18248 15317 13604 13910 18834 17608 12956 13829 12933 14909 14947 pentadecanoic acid Pentadecylic acid 1482 1311 1525 1933 2499 1036 1778 1122 1050 1094 1247 1990 1367 1515 1623 1473 1275 1382 1683 1186 1574 1450 1588 1795 1447 970 1407 1427 1491 960 phenylalanine Phenylalanine 159412 90337 115666 120304 128394 145523 127285 137250 122014 73308 119318 129575 144842 113782 152084 125844 101471 112169 175825 118481 185555 135241 104158 134910 126316 102620 158359 124657 100355 108250 phosphate Phosphoric acid 15793 23135 31014 30283 17033 14020 20770 13565 13368 18217 24095 25783 9224 21012 12446 30844 12410 35126 15622 26338 16951 23900 15785 23520 18877 28024 17749 30722 34101 33003 phosphoenolpyruvate Phosphoenolpyruvic acid 675 1279 834 846 511 952 699 947 897 1025 2064 985 640 1723 468 602 562 760 297 530 556 587 719 737 808 905 396 998 1089 1111 phosphogluconic acid Phosphogluconic acid 498 836 667 881 806 585 478 739 989 1243 1914 968 752 1650 641 599 549 590 603 469 438 784 550 598 670 857 600 896 133 242 pipecolinic acid Pipecolic acid 1469 2734 3590 3061 3448 6178 2365 3234 3314 6549 10020 4238 1871 12103 1611 3518 3626 2592 3221 1935 7485 4914 4487 6682 6059 5933 1492 3048 5662 6045 proline Proline 572566 446162 534179 439910 527568 518996 573247 577500 666960 396690 517261 557545 426557 549006 574638 397312 555885 396128 306544 296399 508348 436045 203924 308915 393883 440021 310883 306294 439775 287664 propane-1_3-diol NIST Propane-1,3-diol 322 421 308 481 477 142 515 377 317 421 437 558 465 460 382 453 296 273 436 210 306 290 211 394 300 304 224 353 393 409 pseudo uridine Pseudouridine 1280 1285 1488 1490 1302 1053 597 897 863 196 1416 1048 1215 1262 882 870 845 878 511 989 734 712 782 784 582 741 682 828 911 1041 putrescine Putrescine 1854 9230 2344 2763 2801 1505 1695 1923 2125 1313 1378 1555 2521 1227 2268 1583 1198 1862 3029 1782 2480 1604 1698 2174 1794 1111 2392 2032 1520 1859 pyrophosphate Pyrophosphate 36931 156531 71494 113979 106738 95942 12086 51579 41550 109314 169822 100519 39329 154314 29397 96234 115096 130797 17026 34497 57125 129482 78208 56327 101921 118032 51519 96210 127419 78592 pyruvic acid Pyruvic acid 97 188 314 375 400 218 572 342 210 584 551 669 629 570 432 388 249 248 505 307 307 455 201 472 287 82 356 348 339 470 ribitol Ribitol 573 608 570 535 554 627 710 526 580 564 563 718 415 609 561 425 439 404 565 413 467 642 475 544 506 551 515 671 762 669 ribonic acid Ribonic acid 423 372 386 370 404 356 499 436 449 361 398 472 418 434 600 342 271 398 513 293 499 432 359 505 514 331 412 400 449 455 saccharopine Saccharopine 12208 16677 15476 15501 14583 15890 11842 18088 15715 23590 25410 17860 16314 31648 18904 20086 33544 35167 11998 22207 27340 32732 29411 23493 26089 26384 15841 29051 50147 31634 serine Serine 161827 135061 151387 147802 171383 160216 125557 149246 138771 108138 190225 160463 151785 169698 157011 129415 122000 119914 143275 108044 205459 153890 117306 129494 133983 142918 147375 136240 149660 131869 sorbitol Sorbitol 402 868 770 652 810 962 969 932 555 861 1191 787 683 844 1035 547 573 388 447 711 872 1280 890 412 1270 1546 608 1098 1050 763 spermidine Spermidine 2349 34033 3944 3421 2617 1553 1947 1761 1700 2572 2453 4596 4599 2868 1908 2868 5299 3684 4803 1887 3267 3660 2493 2932 1451 1679 2841 1833 1142 1251 stearic acid Stearic acid 123156 195106 208003 269117 266015 107912 323908 165090 102096 265173 191549 183097 204672 146568 177320 131880 76304 154388 150380 176168 117896 142850 219276 228350 100634 103189 127836 152272 201517 126736 succinic acid Succinic acid 43435 9501 26868 20147 28988 38119 20467 22221 13566 14339 21247 30445 18363 24548 19378 11205 9543 8963 16170 6947 37256 42383 11351 11196 28024 31805 16095 18433 35008 21887 sucrose Sucrose 172 146 331 264 86 197 177 217 169 144 283 378 150 143 1292 1971 34 199 323 146 167 198 206 51 56 171 219 115 127 267 sulfuric acid TG 16:0_18:1_18:1 2761 1090 617 740 193 202 10804 9563 5900 414 174 3828 6823 195 10866 570 137 636 828 2387 575 291 161 297 288 139 2033 2488 171 224 threonine Threonine 126497 117117 113742 114190 115502 141896 93999 126387 137296 93729 157469 95749 136299 147270 137064 88473 96840 94940 99223 72709 138140 119369 94062 101770 117992 128226 113190 108524 143348 109876 thymine Thymine 406 401 462 376 312 341 508 436 375 363 427 492 534 349 364 430 323 372 257 431 505 568 334 426 473 274 223 447 364 302 trans-4-hydroxyproline trans-4-Hydroxyproline 9256 3252 3251 8203 3277 10884 12178 10511 8878 2879 3275 11000 11420 4578 13842 8579 3270 7995 12469 7586 4476 10328 2909 9578 5098 5804 10688 4393 8119 5571 trehalose Trehalose 431179 702342 615453 378653 664138 591568 1171290 622086 870378 1092579 704304 977112 949975 269221 898355 615245 642044 712302 575954 813176 478448 524918 1085706 977403 843520 1043996 679973 1214480 285903 873334 trehalose-6-phosphate Trehalose 6-phosphate 221 357 454 360 413 309 477 381 517 441 281 561 426 428 412 392 109 459 253 516 634 194 582 293 515 374 439 538 463 426 tryptophan Tryptophan 29607 13835 10464 9828 10333 26192 23171 11705 9514 5924 19670 23377 13096 9815 12810 22939 16863 9720 15927 10897 32010 25216 8266 10965 11018 20853 27431 10142 10156 5329 tyrosine Tyrosine 193691 137967 146708 144049 153413 156750 131367 156495 135112 93184 143143 138008 153819 145791 152909 161248 146861 162292 194535 159977 207631 161744 129758 142133 164829 155764 171610 173048 165524 163921 tyrosol Tyrosol 4751 2379 2123 1850 1598 4361 901 2188 1308 1241 1432 1051 1248 3317 1464 802 4466 2785 1231 879 2597 2145 1571 951 888 2452 891 1987 3778 2062 UDP-N-acetylglucosamine UDP-N-acetylglucosamine 1084 1328 929 1464 1089 799 948 775 758 508 1076 455 654 961 558 599 785 1022 337 307 258 434 552 440 975 950 394 956 1066 1133 uracil Uracil 2267 1731 2932 3852 3161 5363 4701 4922 5032 1681 4121 6138 5678 4743 5812 4138 3565 3599 4757 4152 8337 4160 3253 2831 3280 4088 4195 4607 3641 1513 urea Urea 6432 16184 2626 13551 14881 14542 9626 12216 9329 20039 17852 14824 4881 24192 6357 11307 25832 13885 9182 9582 12434 14732 12758 16666 10143 10875 7330 11266 11822 15536 uridine Uridine 365 302 32 637 438 374 350 306 536 277 430 283 351 398 439 349 314 369 696 405 611 372 285 414 146 302 521 369 297 664 uridine-5^-monophosphate UMP 2254 5282 2408 3724 3415 2970 2067 2373 2386 3264 3958 3237 1521 3152 2410 1937 2258 2557 902 1506 1869 2904 2709 2098 2310 2409 1784 2892 2674 1442 valine Valine 373515 329314 394642 350124 420115 388667 343974 376819 360165 287218 380947 394310 358180 424656 391348 355424 315981 307624 405760 323765 472807 358784 319017 411209 369665 329279 351425 377864 398094 380252 xanthine Xanthine 1053 451 690 879 874 981 1275 1061 871 543 255 985 798 917 1203 432 965 1046 1429 957 1459 1119 522 1122 1375 970 1338 1339 1157 1151