Metabolite_name RefMet_name DUKE-17572 DUKE-17573 DUKE-17575 DUKE-17576 DUKE-17579 DUKE-17581 DUKE-17582 DUKE-17584 DUKE-17587 DUKE-17588 DUKE-17591 DUKE-17593 DUKE-17595 DUKE-17597 DUKE-17599 DUKE-17601 DUKE-17603 DUKE-17570 DUKE-17571 DUKE-17574 DUKE-17577 DUKE-17578 DUKE-17580 DUKE-17583 DUKE-17585 DUKE-17586 DUKE-17589 DUKE-17590 DUKE-17592 DUKE-17594 DUKE-17596 DUKE-17598 DUKE-17600 DUKE-17602 DUKE-17604 Factors - Sample source:Bovine_Meat | Factor:Grain Sample source:Bovine_Meat | Factor:Grain Sample source:Bovine_Meat | Factor:Grain Sample source:Bovine_Meat | Factor:Grain Sample source:Bovine_Meat | Factor:Grain Sample source:Bovine_Meat | Factor:Grain Sample source:Bovine_Meat | Factor:Grain Sample source:Bovine_Meat | Factor:Grain Sample source:Bovine_Meat | Factor:Grain Sample source:Bovine_Meat | Factor:Grain Sample source:Bovine_Meat | Factor:Grain Sample source:Bovine_Meat | Factor:Grain Sample source:Bovine_Meat | Factor:Grain Sample source:Bovine_Meat | Factor:Grain Sample source:Bovine_Meat | Factor:Grain Sample source:Bovine_Meat | Factor:Grain Sample source:Bovine_Meat | Factor:Grain Sample source:Bovine_Meat | Factor:Grass Sample source:Bovine_Meat | Factor:Grass Sample source:Bovine_Meat | Factor:Grass Sample source:Bovine_Meat | Factor:Grass Sample source:Bovine_Meat | Factor:Grass Sample source:Bovine_Meat | Factor:Grass Sample source:Bovine_Meat | Factor:Grass Sample source:Bovine_Meat | Factor:Grass Sample source:Bovine_Meat | Factor:Grass Sample source:Bovine_Meat | Factor:Grass Sample source:Bovine_Meat | Factor:Grass Sample source:Bovine_Meat | Factor:Grass Sample source:Bovine_Meat | Factor:Grass Sample source:Bovine_Meat | Factor:Grass Sample source:Bovine_Meat | Factor:Grass Sample source:Bovine_Meat | Factor:Grass Sample source:Bovine_Meat | Factor:Grass Sample source:Bovine_Meat | Factor:Grass 2_3-dihydroxy-2-methylbutyrate 2,3-Dihydroxy-2-methylbutanoic acid 0.7753 2.4569 2.0622 1.3521 1.5437 2.0155 0.9818 1.9726 1.8169 1.5757 1.8226 1.4964 0.6312 1.7838 2.4921 2.0519 0.8650 0.9035 1.5003 0.9927 0.6712 0.5400 0.4880 0.9145 0.7353 1.2948 0.5042 1.0073 1.1064 0.6468 0.6949 0.9528 0.7439 0.4610 0.8192 2_3-dihydroxyisovalerate 2,3-Dihydroxyisovaleric acid 0.4908 0.4908 0.4908 0.4908 0.4908 0.4908 0.4908 0.4908 0.4908 0.4908 0.4908 0.4908 0.4908 0.4908 0.4908 0.4908 0.4908 1.1924 1 1.2613 0.7196 0.8666 1.0328 0.7431 2.0633 1.0829 0.7395 0.4908 0.9948 1.6028 2.1555 0.6151 0.8739 0.4908 1.1795 2_4-dihydroxybutyrate 2,4-Dihydroxybutanoic acid 1.3043 1.1765 0.6749 1.0348 0.7302 1.0669 0.4738 0.7446 0.5403 0.6480 0.9580 1.1833 0.7238 0.6890 0.7117 0.9004 0.6774 1.0799 1.0216 1.2550 1.2575 1.1603 1.1401 0.9385 1.2864 1.0940 0.8405 1.1332 1.1832 1.4952 1.3835 0.9938 0.9291 0.8401 1.0062 2_6-dihydroxybenzoic acid 2,6-Dihydroxybenzoic acid 0.3423 0.3423 0.3423 0.3423 0.3423 0.3423 2.9421 0.3423 0.3423 0.3423 0.3423 0.3423 0.3423 0.3423 0.3423 0.3423 0.3423 2.3399 0.3423 0.3423 0.3423 0.3423 2.5549 1.4068 0.4071 0.3423 0.3423 0.3423 0.3423 0.3423 0.4282 0.5932 3.2656 0.3887 0.3423 2-aminoadipate alpha-Aminoadipic acid 0.6449 0.6615 1.9030 0.9171 1.1462 0.8878 0.6292 0.7162 0.8491 1.9455 0.7184 0.6205 1.2188 0.7007 0.5460 0.8995 0.6929 1.8168 0.7371 1.4740 2.3030 0.8150 0.9386 1.9706 1.9536 1.0614 1.2800 1.1213 0.7741 1.1593 1.6491 2.0258 2.1811 2.0435 1.3409 2-hydroxyadipate 2-Hydroxyadipic acid 0.9858 0.9393 1.1776 1.2468 1.7752 1.5048 0.6438 1.4372 1.2685 1.2049 1.4549 1.3141 1.5748 1.5866 0.8626 1.8866 0.8413 1.0932 0.7259 0.9433 1.3601 0.7043 0.8929 1.0075 1.4204 0.9656 0.7095 0.8689 0.4606 0.9471 0.8404 0.8037 1.0441 1.6531 0.9815 2-hydroxybutyrate/2-hydroxyisobutyrate 2-Hydroxybutyric acid/2-Hydroxyisobutyric acid 0.9456 0.9269 0.6168 0.8516 0.9489 1.4957 1.0176 0.8237 1.0188 0.5101 0.8584 0.8895 0.9011 1.0007 1.2988 0.9993 0.7011 1.1864 0.9861 1.2984 1.8094 0.9096 1.1026 0.8842 1.2886 1.0522 0.8914 1.8256 1.3888 1.8188 1.3952 1.6183 1.1278 1.3136 0.9836 2-hydroxyglutarate 2-Hydroxyglutaric acid 0.9410 0.3589 0.3273 0.6607 1.4293 1.3782 0.4329 0.5354 0.5275 0.3154 0.4388 0.3937 0.9769 1.1615 0.8418 0.5927 0.6832 1.0922 0.7293 1.2637 1.5347 0.7077 1.1514 1.3810 2.1444 1.0231 1.2368 1.3690 1.1017 1.2937 1.0432 1.3852 1.1749 2.4102 0.9252 2-hydroxyheptanoate* 2-Hydroxy enanthoic acid 4.2408 1.9984 1.2394 0.4710 0.7103 1.0696 0.9352 0.8584 1.2009 0.8088 1.2263 1.5593 0.3797 0.9103 1.3444 0.5993 0.7804 1.0735 1.0314 1.1852 2.0996 1.3888 3.9149 1.0540 0.5024 0.9956 0.5437 0.8119 1.0419 0.6861 0.7328 0.5710 0.7835 0.5223 1.0635 2-hydroxysebacate 2-Hydroxy-decanedioic acid 2.9552 1.5881 0.3796 0.3796 0.3796 0.9270 0.3796 0.3796 0.3796 0.3796 0.7571 1.0036 0.3796 0.3796 0.3796 0.3796 0.3796 0.3796 1.2321 1 2.2284 0.6056 1.7815 0.3796 0.3796 0.3796 0.3796 0.3796 0.7917 0.3796 0.3796 0.3796 0.3796 0.3796 0.7681 2-ketogluconate 2-Dehydro-D-gluconic acid 0.1064 0.1064 0.1064 0.1064 0.1064 0.1064 0.1064 0.1064 0.1064 0.1064 0.1064 0.1064 0.1064 0.1064 0.1064 0.1064 0.1064 0.9738 3.6005 1.3131 0.2674 4.7533 3.5616 0.1064 0.2924 1.0262 1.4986 1.5480 1.4775 0.6874 0.8771 0.1064 0.4859 0.1064 0.9460 2-ketogulonate 0.7258 0.4347 0.4347 0.4347 0.4347 0.4347 0.4347 0.4347 0.4347 0.4347 0.4347 0.4347 0.4347 0.4347 0.4347 0.4347 0.4347 0.7512 2.6349 1.9303 0.4347 5.6306 2.0763 0.4347 0.4347 1.0480 0.4619 1.1527 1.5021 0.7002 1 0.4347 0.8348 0.4347 0.5685 2-methylcitrate 2-Methylcitric acid 0.7353 0.7832 1.8066 1.1946 9.5671 3.8153 0.2860 1.8238 0.2860 1.0867 0.5601 0.3062 2.1962 0.7458 1.0263 1.5825 0.5868 1.3624 0.5386 1.6211 1.0197 0.8989 1.0498 0.9572 1.4036 0.9149 1 0.8864 0.7473 1.1606 0.3965 2.0483 2.4966 0.9272 0.8557 2-O-methylascorbic acid 2-O-Methylascorbic acid 1.1190 1.3568 0.7223 0.7991 1.0293 0.8681 0.4648 0.6446 0.8685 0.5102 0.8942 1.1326 0.6854 0.6828 1.0827 0.8803 0.9201 1.0824 0.9177 1.2891 1.0007 0.9962 0.9623 1.1604 1.2039 1.1787 0.9989 1.1350 1.1466 0.9993 1.2774 1.1773 1.1865 1.1782 1.1305 2R_3R-dihydroxybutyrate 4-Deoxyerythronic acid 1.0762 1.2692 0.8614 1.1962 0.9093 1.3280 1.4912 0.3442 1.1311 0.7309 0.7738 1.1741 0.8750 1.0967 1.0044 0.6704 0.8866 0.5942 0.7162 1.1124 1.8420 0.9504 0.7590 0.8612 0.9974 0.9786 0.9358 1.0679 1.2674 0.9694 1.5719 1.8673 0.7250 1.1684 1.0136 2S_3R-dihydroxybutyrate 4-Deoxythreonic acid 0.8229 1.5829 0.7295 2.1886 0.4870 3.0856 1.8031 0.4850 1.4805 0.6950 0.4508 1.4036 1.2617 1.3299 1.5050 1.0541 0.6298 1.0889 0.5463 0.9185 1.0260 1.0074 0.6818 0.7754 0.8633 0.8972 0.8399 1.1042 1.3597 0.9446 1.3290 1.3844 0.4283 1.3057 0.6906 3-hydroxy-2-ethylpropionate 2-Ethyl-hydracrylic acid 2.0040 3.2182 1.0049 1.4545 1.0009 1.4645 0.4673 1.1284 0.3624 0.8924 4.8103 3.0565 1.2284 3.1393 0.9196 1.1578 2.3745 1.5957 0.6651 0.6958 0.5633 1.0475 1.3994 0.9705 0.8644 0.6047 1.0282 1.5904 0.9991 0.5321 0.7640 0.7903 0.6252 0.6911 0.7024 3-hydroxy-3-methylglutarate 3-Hydroxymethylglutaric acid 1.0019 0.9085 0.7848 1.1041 1.3147 1.4758 0.7447 0.9467 0.7481 0.6615 1.0209 0.7575 1.0883 1.1249 1.2246 1.1833 0.9928 1.0644 0.8565 1.0258 0.7148 0.6850 1.0768 0.9578 0.8586 0.9981 0.8921 1.1356 1.1374 1.0197 0.8702 1.2224 1.0816 1.2501 0.9114 3-hydroxyadipate 3-Hydroxy-adipic acid 0.4883 0.4883 0.6698 0.4883 0.7725 0.8829 1.4143 0.7761 0.4883 0.4883 0.4883 0.7399 0.8127 1.0705 0.4883 2.1377 0.4883 1.1928 1.5376 1.4777 1.5468 0.9316 0.9382 1.1201 1.3541 0.9406 0.4883 0.8690 2.6150 1.8437 1 0.9062 2.9878 0.9366 1.4718 3-hydroxybutyrate (BHBA) 3-Hydroxybutyric acid 1.0651 0.4887 1.0656 1.0269 1.7272 1.2076 0.5904 1.1599 0.7507 0.8280 1.3878 0.6396 1.1229 1.1789 1.1937 1.5930 0.9706 0.9731 1.3964 0.8591 0.6089 0.5418 0.3442 1.1998 0.7340 1.1152 0.5394 0.8125 1.2194 1.2686 1.2461 0.9223 2.1034 0.5310 0.9678 3-hydroxyglutarate 0.6017 1.0020 0.5685 0.9320 1.1739 1.2475 0.9043 0.9994 0.9240 0.4910 1.1391 0.7647 1.1630 1.1015 1.2726 1.2312 0.8264 0.7532 0.9657 1.2146 1.1519 0.6987 1.0006 0.8828 1.3388 1.0584 0.8796 0.8830 0.8432 0.9827 0.8644 1.1092 1.1695 1.9547 1.0094 3-hydroxyhexanoate 3S-Hydroxyhexanoic acid 1.0146 0.6750 1.4232 1.0168 2.2114 1.4776 0.7809 1.4993 1.5897 1.3207 1.6202 0.6480 1.2779 1.3105 1.7966 2.0449 1.0462 0.6028 1.1164 0.9887 0.6319 0.7383 0.5221 0.7228 0.7314 0.9052 0.5496 0.9815 1.0113 1.2916 0.9353 0.9516 1.3582 0.6724 0.8696 3-hydroxyisobutyrate 3-Hydroxyisobutyric acid 0.6360 1.3147 0.9121 1.0822 0.7963 0.7593 0.4053 0.8679 0.3678 0.4140 0.8825 1.2649 1.1035 1.2403 0.8362 1.4113 0.7060 1.2099 1.2548 1.0057 1.0337 0.7041 0.9943 1.7991 1.2012 1.5217 0.5753 1.3265 1.0846 1.1648 0.9634 1.1355 0.7915 1.2006 0.8995 3-methylglutaconate 3E-Methylglutaconic acid 0.8053 0.8365 0.6958 0.9169 1.3537 0.9499 1.1714 0.6583 0.6122 0.5610 1.0476 0.7555 1.1152 0.9097 1.1550 0.9751 1.1229 1 0.7816 1.2251 0.9432 0.9501 1.5645 1.0358 1.8764 1.0642 0.7382 1.2843 1.4552 0.9090 0.5610 1.5523 1.3547 1.1101 0.9289 4-imidazoleacetate Imidazoleacetic acid 0.6513 0.3666 0.4167 0.2899 0.2723 0.5178 0.1847 0.1923 0.2887 0.3205 0.5286 0.3361 0.2903 0.2830 0.5178 0.5551 0.3164 1.8920 1.4547 1.8647 2.3774 2.4044 2.0074 1.8235 2.2857 1.5879 1.4842 2.3628 1.3487 1.6854 2.2333 2.0653 1.7450 2.7752 1.9393 acetylphosphate Acetylphosphate 1.0081 1.7350 0.6698 1.1245 0.6903 0.4782 0.5079 0.8076 1.0463 1.0663 1.3838 1.0291 0.9089 0.5935 1.0321 0.6619 0.7754 0.9987 1.3177 0.6508 1.3335 1.0013 1.1084 0.7249 1.2303 0.9700 0.8237 1.2773 1.0045 0.7360 1.3426 0.9970 0.7320 1.3751 0.7793 adenosine 2^-monophosphate (2^-AMP) Adenosine 2'-phosphate 0.8226 0.9205 0.7504 0.7350 0.3481 0.7429 0.3590 0.9693 0.6618 0.7953 1.1219 1.0503 0.4487 0.6114 1.0537 1.1408 0.9146 1.9153 1.1258 1.4236 1.1425 0.7332 1.0314 0.7757 1.1075 1.0369 1.1801 1.1400 0.7897 0.9044 1.0800 1.0307 1.2515 1.2693 1.3656 adenosine 3^-monophosphate (3^-AMP) 3'-AMP 0.8785 0.6971 0.7698 1.7321 1.0024 0.9435 2.1909 0.4440 0.6066 0.3170 0.8669 1.3891 1.0938 0.5217 1.9100 1.3661 0.6573 0.8477 0.9318 0.9976 3.8495 2.3065 1.8727 0.9005 1.9575 0.2826 0.6809 1.1800 1.0811 1.1136 1.0214 2.3687 1.9995 0.2410 1.6923 adenosine 5^-monophosphate (AMP) AMP 0.4693 0.3573 1.0652 0.6041 3.3967 5.6171 0.1891 1.2831 0.6184 0.3024 6.8021 2.1110 2.3366 1.0694 10.3988 4.2382 4.8259 0.5402 1.8153 0.7123 0.8273 1.0456 1.2174 3.5337 0.4759 0.4065 0.3948 0.7589 0.5490 1.8623 0.5216 4.0913 0.4559 0.4348 0.9544 allantoic acid Allantoic acid 0.9561 0.9600 0.9678 0.8738 1.2886 0.9021 0.5759 1.0407 0.9587 0.8164 0.8060 0.8417 0.9398 0.7392 0.9676 1.2129 0.7844 1.0867 1.0650 1.0273 1.1113 0.9817 1.1724 1.1392 1.3794 1.0183 0.9180 1.1927 1.2614 0.7961 1.1193 1.3538 1.1894 1.1706 1.1707 allantoin Allantoin 1.5222 0.9540 0.8974 0.9592 1.2250 0.8016 0.5177 0.8488 0.9853 0.8563 0.9615 0.8554 0.8002 0.6824 0.9672 1.0269 1.0166 1.1832 0.9678 0.9288 1.1823 1.0147 1.2685 1.0154 1.1691 0.9125 0.8082 1.2545 1.1208 1.0431 1.0720 1.1657 1.2468 1.0477 1.0519 alpha-hydroxyisovalerate 2-Hydroxy-3-methylbutyric acid 1.7024 1.0562 0.6783 0.9892 1.3730 1.2611 0.5663 0.8734 1.0703 0.5698 0.9480 1.0870 1.1243 1.3003 1.3618 0.9338 1.0048 0.8223 0.8622 1.0885 1.0999 0.9463 1.0369 0.7651 0.9095 0.8985 0.8711 1.1117 1.2250 1.3173 1.2518 0.9952 0.7761 1.3485 0.9330 alpha-ketoglutarate 2-Oxoglutaric acid 1.0853 1.3356 1.0583 1.2388 1.3914 1.0274 0.7497 1.0025 0.7157 0.6090 1.5473 0.9975 0.8167 1.8596 1.7371 1.2312 0.8266 0.9713 1.4262 1.4726 0.9468 1.4732 1.1073 1.8802 0.7581 0.8987 0.7252 0.8799 0.8338 1.7740 0.8479 0.9414 0.8354 0.5993 1.2633 arabinose Arabinose 0.5710 0.9132 0.9329 0.5364 1.2881 0.9380 0.2850 0.3656 1.3905 0.4532 0.6605 0.2850 0.4217 0.3129 0.9101 0.6148 0.5608 1.7770 1.3117 1.5282 1.1038 1.7721 1.8557 1.7004 1.2899 1 0.9304 1.1101 1.5128 1.1624 1.9311 2.1599 2.5399 0.6054 1.6722 arabitol/xylitol Arabitol 1.6772 1.4582 1.3250 0.8001 1.0308 1.3923 0.7453 0.8041 1.2356 0.9364 1.8117 1.4743 0.6385 0.7623 0.9961 0.9717 1.2115 1.1793 1.0156 0.8877 1.0100 0.8398 0.9327 0.9797 1.0299 1.2250 0.7247 1.1326 0.9690 0.7789 1.2777 1.0039 1.3286 0.9142 0.9824 arabonate/xylonate Arabinonic acid/Xylonic acid 1 1.5910 0.5510 0.6185 1.2566 0.8631 1.8791 0.7940 0.4033 0.8114 1.8531 2.1467 0.4778 1.9764 2.2538 0.9898 0.7367 2.0433 2.4708 3.1351 0.9379 0.7366 0.9181 0.6137 0.9972 0.6539 0.4033 1.1247 1.0997 1.0429 1.7738 0.8137 1.0338 1.0817 0.6532 beta-hydroxyisovalerate 3-Hydroxyisovaleric acid 1.0885 1.0724 1.0841 1.1279 1.1886 1.1583 0.7089 0.8560 0.9582 0.7527 0.9020 0.9551 1.0289 0.8527 1.1464 0.9550 1.0380 1.1073 1.2356 1.2676 1.1517 1.1410 0.9374 0.9290 0.9149 0.8901 0.8044 1.1164 1.0306 1.4947 0.9214 0.9188 1.0104 0.9896 0.8959 cholesterol sulfate Cholesterol sulfate 1.1123 1.1102 0.5605 0.8494 1 0.8734 0.6948 0.6841 1.9198 1.0941 1.3507 0.8421 0.7413 0.6562 1.0377 1.2224 1.2099 0.7847 0.6460 0.9081 0.6974 0.5605 1.0055 0.8184 0.9590 1.0947 1.0844 1.4256 0.7745 1.3834 0.8364 1.1613 0.7061 1.4003 1.0923 citraconate/glutaconate Citraconic acid/Glutaconic acid 0.9412 1.5864 0.7335 0.7186 0.5519 1.6061 0.5699 1.5643 0.7046 1.4582 1.0805 1.1618 0.5365 0.8646 0.5990 1.1548 1.2570 1.7578 1.0460 1.4583 2.5041 1.1556 2.0601 0.9205 1.0495 0.6076 1.1416 0.6643 1.7259 0.9540 0.9338 1.1052 0.4942 0.9238 0.6534 cytidine-5^-diphosphoethanolamine CDP-Ethanolamine 1 0.5180 1.0176 1.1048 1.3713 0.5930 0.5180 1.2809 1.0886 1.4598 0.5180 0.5180 0.9177 1.1110 1.5667 1.1210 0.8823 0.5180 0.5180 0.5180 0.8014 0.5180 0.5180 0.5180 0.5180 0.8311 0.8599 0.9005 0.5180 0.7483 0.5180 0.7105 0.5180 1.1166 0.5180 cytidine 5^-monophosphate (5^-CMP) CMP 0.6040 0.5751 0.6903 0.9477 1.6084 1.7041 0.6338 0.9540 0.7340 0.5978 0.6215 0.5634 1.1034 0.8244 1.1445 1.4312 1.0849 0.8774 0.7753 1.9444 1.4433 0.6917 0.8290 1.7737 0.9572 0.9109 1.0428 1.7052 1.1181 1.7968 1.3238 1.9067 1.0921 1.3846 1.8311 erythritol Erythritol 0.5299 0.5299 0.5299 0.5299 0.5724 0.7030 0.5299 0.5299 0.5299 0.5299 0.5299 0.5299 0.5299 0.5299 0.5299 0.5299 0.5299 1.1665 0.6734 1.4578 0.9267 0.8337 0.8916 0.9567 1.2115 1.0676 0.6630 1.0433 1.1196 2.4409 1.2958 0.5299 1.1118 0.6129 1.1329 erythronate* Erythronic acid 1.0019 1.1245 0.7012 0.6971 0.7302 1.0632 0.6229 0.5242 0.7020 0.5678 0.9981 1.0951 0.6941 0.7360 0.9104 0.8243 0.8116 1.1583 1.0165 0.9638 1.0217 1.1681 1.3008 0.8875 1.2598 1.2730 0.8583 1.2567 1.1875 1.4937 1.2397 1.1508 1.1570 1.1339 0.9445 ethylmalonate Ethylmalonic acid 1.0324 0.5009 1.1632 0.9723 1.1284 1.1972 0.5593 0.9126 1.4043 0.8393 1.7757 0.6297 0.9017 1.1317 2.4446 1.4126 1.3140 0.8503 1.1403 0.7814 0.7323 0.9988 0.6327 0.9912 1.1514 1.8987 0.9211 0.9625 0.9748 1.1231 1.0970 1.0564 1.0012 1.0272 0.8971 fructose Fructose 2.1501 1.3994 0.9221 0.7737 0.5160 0.3187 0.3670 0.4963 1.0277 0.6738 1.6680 0.9498 0.3821 0.4813 0.8999 0.5130 0.9783 1.1500 1.5207 0.9187 1.2781 1.4130 1.4043 0.9363 1.2428 1.0836 1.1507 1.2254 0.9096 0.5563 1.5302 1.2217 1.0217 1.6822 1.0577 fumarate Fumaric acid 2.1838 1.7673 2.0331 1.6940 1.0919 0.8187 0.8246 1.5969 2.5792 2.2948 2.4245 1.9139 0.8126 1.7881 1.8957 1.2643 1.6907 0.7385 0.7208 0.9889 0.7158 0.7512 0.6660 0.7563 0.8038 1.5745 0.7819 0.8628 0.4741 0.4476 0.7815 0.3702 0.5474 2.2015 1.0111 gluconate Gluconic acid 1.4330 1.1288 0.5688 0.3755 0.4642 0.5094 0.4986 0.4404 0.5522 0.3261 0.8874 1.1126 0.5224 0.4865 0.4835 0.6387 0.4927 1.3414 2.7185 1.2452 1.1875 1.2729 3.0318 1.3812 1.2008 0.8589 1.1249 1.4853 1.1308 1.1335 2.2079 0.8853 1.5206 0.7885 1.5292 glucosamine-6-phosphate Glucosamine 6-phosphate 1.8398 1.7228 1.0615 1.0151 0.5042 0.2892 0.2809 0.7676 1.3672 1.0727 1.3768 1.2488 0.6026 0.5246 0.8693 0.5093 1.1997 0.8672 1.6377 0.9859 1.1037 1.0033 1.0548 0.6269 1.0817 0.9967 1.4207 0.9869 0.8584 0.4762 1.1034 0.9238 0.7444 1.4183 0.9963 glucose Glucose 1.7137 1.5784 1.0315 0.9422 0.6452 0.4674 0.5756 0.7057 1.0543 0.8469 1.3310 1.1981 0.5358 0.7632 0.8600 0.7772 0.9502 0.9729 1.3550 0.9448 1.0609 1.1417 1.1502 0.9403 1.0229 1.0396 1.0148 1.0817 0.9652 0.6278 1.1891 1.1541 1.0192 1.2562 0.9852 glucose 6-phosphate Glucose 6-phosphate 1.8843 1.7078 1.0958 1.0749 0.4925 0.2602 0.3792 0.8144 1.3830 1.1760 1.3788 1.1449 0.6741 0.6020 0.9721 0.4576 1.1639 0.8697 1.6212 1.0022 1.1029 0.9985 0.9794 0.6372 0.9854 1.0015 1.5898 0.8983 0.8221 0.4559 1.0082 0.8842 0.7098 1.3241 1.0084 glucuronate Glucuronic acid 0.8391 0.8717 1.0052 1.0967 0.9198 0.7385 1.0170 0.6930 0.6876 0.7945 0.8762 0.9596 0.8355 0.6094 0.8466 0.7447 0.6134 1.0832 1.2944 1.1011 1.3257 1.1633 1.3034 1.0601 1.0923 1.1930 1.0898 1.2373 0.9567 0.8404 1.1662 1.2083 1.0833 0.9948 1.0339 glutarate (C5-DC) Glutaric acid 1.6496 0.8585 0.9912 1.1632 1.3178 1.4664 0.8486 0.9635 0.9843 0.7658 1.1897 0.7214 1.3265 1.1231 1.4382 0.9139 0.6753 0.8614 0.7142 1.0406 1.0088 0.9818 1.0872 0.7958 1.3758 1.0324 0.6962 1.2408 0.8744 1.2992 1.0969 0.8666 1.0826 1.2096 0.9422 glycerate Glyceric acid 1.0885 1.9100 0.9599 0.5167 0.4191 0.6314 0.5742 0.3701 0.5500 0.5618 0.8026 1.8969 0.4954 0.3657 0.6166 0.4441 1.0611 1.0489 0.8977 1.0019 1.1446 1.0785 1.5543 0.8379 1.2789 1.0456 1.2571 1.3811 1.2444 2.8556 0.8741 1.0471 0.7757 1.4024 0.9981 glycerol 2-phosphate sn-Glycero-2-phosphate 0.2342 0.3482 0.6031 0.7376 0.6318 0.7216 0.2342 0.3261 0.2694 0.4478 0.4977 0.4203 0.5392 0.2342 1.0678 0.4117 0.5894 1.2124 2.0782 1.7035 1.3147 1.0288 0.7344 1.4067 1.0388 1.3752 1.1731 1.0245 0.9755 1.4039 1.5953 1.4379 1.2698 1.0944 1.5247 glycerol 3-phosphate sn-Glycero-3-phosphate 0.3091 0.2039 0.6683 0.7024 1.0502 2.4396 0.8133 0.5482 0.3895 0.4667 0.8287 0.6281 1.6161 0.6400 0.9826 0.7931 1.0369 0.7865 1.2533 1.7575 1.4749 1.1784 0.9901 1.1724 1.0099 0.4341 1.0285 1.1239 1.3465 7.3178 1.1392 1.4709 1.0961 0.2671 1.3059 gulonate* Gulonic acid 1.2972 0.9642 0.8035 0.6872 0.9108 0.9088 0.5803 0.8030 0.7344 0.5685 1.0929 0.9001 0.9661 0.8065 0.8945 1.1696 0.6892 1.1102 1.0127 1.3210 1.0328 1.4978 1.1573 1.2978 1.6422 1.2397 0.9242 1.2560 1.0232 1.2216 1.2495 1.3648 0.9873 0.9211 1.2304 homocarnosine Homocarnosine 0.7153 0.8895 0.8069 0.8751 1.7570 1.7325 0.9263 1.5476 1.0076 0.6051 1.0647 0.6010 0.6689 2.1078 3.3125 1.8904 1.9190 0.9759 0.8203 1.1022 0.8823 1.0656 1.0393 0.9924 1.0952 0.7623 0.7307 1.3064 1.0880 0.9013 0.7642 1.0484 0.9792 0.7719 1.0131 inositol 1-phosphate (I1P) Inositol 3-phosphate 0.8956 0.7337 1.0150 1.1100 1.2324 0.8949 1.6276 1.0602 0.6090 0.9850 0.8689 0.8067 1.5018 0.9091 0.5567 0.6526 0.5790 1.2333 1.4535 1.5856 1.4460 1.5598 1.0704 1.1066 0.8824 1.0612 1.6220 0.6806 0.7323 3.5208 0.8843 0.9577 1.1118 0.8545 1.2907 lactate Lactic acid 1.0044 1.1701 1.0420 0.9061 0.9461 0.9743 0.5821 0.8274 0.9954 0.8471 1.0541 1.1701 0.7731 0.9322 1.1253 1.0717 0.9915 1.0414 1.1491 0.9878 0.9699 0.8798 1.0518 1.0349 1.0455 0.9956 0.8721 1.1237 1.1017 0.9032 1.0634 1.0170 1.0427 1.0052 0.9622 lyxonate D-Lyxonic acid 5.5833 4.3183 0.9835 0.6822 0.5266 0.6752 0.6192 0.4394 0.8537 0.5161 2.3776 2.1671 0.4103 0.6151 0.8336 0.8677 0.7761 1.2375 1.6069 1.3908 1.1781 1.3517 1.8072 0.9678 1.0165 1.9173 1.1710 1.3839 1.2901 0.5930 1.2498 0.9808 0.9658 1.1776 1.2523 maleate Maleic acid 1.6215 1.7826 2.0192 1.6467 1.1345 0.9858 0.6893 1.7354 2.2447 1.7464 2.9187 2.8230 0.9402 2.0526 2.9163 1.6846 2.0271 0.5766 0.9557 0.9803 1.0175 0.6318 0.9586 0.8781 0.9080 0.9422 0.6435 0.8504 0.6171 0.4834 0.6799 0.3408 0.5008 1.6570 1.0142 malonate Malonic acid 0.8262 1.3000 0.9939 1.2062 1.4376 1.0649 0.7521 1.0257 1.1322 0.8831 1.0613 0.9393 0.7266 0.6433 1.0988 1.1087 1.1522 1.3439 0.8933 1.3457 1.0322 0.9863 0.8829 0.9445 2.1314 1.1431 0.6363 0.8483 0.9978 0.7627 0.8389 1.0022 1.0240 0.8932 0.7297 maltose Maltose 4.3788 4.0760 0.4992 0.4509 0.5089 0.1208 0.3114 0.4590 1.5786 0.5196 1.1729 1.3444 0.2233 0.2510 0.5446 0.4685 0.4952 0.6088 1.7122 0.8146 1.1139 1.4603 2.9419 0.6136 1.1341 2.9491 0.9040 1.9655 2.0537 0.1328 1.0960 2.2416 1.7072 2.2093 1.1930 maltotriose Maltotriose 1.9453 5.5412 0.2707 0.2707 0.2707 0.2707 0.2707 0.2707 1.4327 0.2707 0.4934 0.4449 0.2707 0.2707 0.2707 0.2707 0.2707 1.1117 1 1.1742 0.5059 0.8209 1.1373 0.2707 0.7352 8.2861 0.2707 1.1794 0.7662 0.2707 0.2707 0.2707 0.8186 1.9129 0.7418 mannitol/sorbitol Sorbitol 2.4877 1.0674 0.7625 0.7020 0.9858 0.7451 0.4313 0.6546 0.6130 0.6233 1.6763 0.8084 0.5159 0.9599 0.8804 0.8457 0.8241 1.0142 1.6631 1.2397 1.5566 0.9660 1.0505 1.1480 1.6717 1.2483 0.9842 1.4581 1.1443 0.7249 1.5437 1.3713 1.6833 1.7893 1.3037 mannonate* Mannonic acid 1.6334 1.0960 0.6400 0.9148 0.6950 0.9613 0.4152 0.7466 0.6139 0.5415 1.3018 1.0009 0.8823 1.0505 1.0421 0.9991 0.5758 0.8932 1.9606 1.4946 0.8814 2.6421 2.3270 0.7373 1.0159 1.2206 1.2586 1.3408 1.2947 0.9788 1.1332 1.0079 0.7673 0.9509 1.1355 mannose Mannose 3.0836 2.0715 1.0338 0.9264 0.6011 0.2683 0.6866 0.6561 0.9886 0.7959 2.0014 1.2797 0.4914 0.7122 0.9050 0.5272 1.0622 1.0114 1.5905 0.8064 1.1228 1.3905 1.2529 0.7850 1.0723 0.9497 1.2333 1.0279 0.8779 0.6538 1.3028 1.0589 0.9164 1.3584 0.9454 methylmalonate (MMA) Methylmalonic acid 1.6909 1.1512 1.3607 0.9710 0.6600 0.6829 0.4703 0.5898 2.0066 0.9663 1.3843 1.0267 0.6070 0.7320 1.0549 0.7951 1.1178 0.5282 0.9706 0.7845 1.1161 1.3191 1.2743 0.9017 1.2952 0.9925 1.0075 1.1830 0.5361 0.8232 0.9720 1.1950 0.8426 1.4752 1.1261 methylsuccinate Methylsuccinic acid 1.0386 0.9926 0.7418 0.8100 1.0074 0.9098 0.5314 0.7892 0.6125 0.8074 1.9808 0.8566 0.7673 0.7737 1.4485 0.9226 0.8307 2.3837 0.8880 1.1495 1.1792 1.8207 1.2649 1.5403 1.8132 1.0925 0.7881 1.2046 0.9706 1.4404 1.5931 1.8995 1.4490 1.5000 0.8083 myo-inositol Myo-inositol 0.7037 0.5154 0.7059 0.7003 1.2074 0.7898 0.6099 0.7314 0.6477 0.5921 0.6191 0.5292 0.9121 0.6493 0.8219 0.8209 0.6666 1.2161 0.6411 1.1522 1.3888 1.3195 1.1706 1.5644 1.7177 1.3837 1.2445 1.8163 1.2123 1.1263 1.3047 1.0879 1.4625 1.3183 1.4928 N6-acetyllysine N6-Acetyllysine 0.9858 0.5872 0.7542 0.5872 0.7641 1.0510 0.9515 1 0.9569 0.7675 1.4771 0.8914 0.9063 0.9486 1.2053 0.7932 1.1938 1.2669 0.9115 1.5262 1.0289 0.9135 1.2905 1.1800 1.5028 0.6831 0.7622 1.1130 0.7409 1.7108 1.5475 1.3804 1.8729 1.4839 1.1903 N-acetylalanine N-Acetylalanine 1.1727 1.4548 1.0703 0.6853 0.6735 0.7599 0.5214 0.5830 1.0974 0.8509 1.2856 1.1127 0.6096 0.6614 0.9272 0.8421 0.9958 1.1016 0.9417 1.2044 0.9911 1.0603 1.0106 0.9677 1.0247 1.0234 0.8655 1.1468 0.9569 1.1512 1.2208 1.0042 1.2160 0.9640 1.0393 N-acetylaspartate (NAA) N-Acetylaspartic acid 0.3772 1.2127 0.6593 0.5668 1.0003 0.7861 0.4304 0.7641 1.8724 0.6835 0.6724 1.0365 0.5045 0.9053 0.7864 0.9997 0.6757 1.2883 1.1493 1.2961 1.0824 0.8665 0.8536 1.3619 1.3835 1.9128 0.9464 1.8639 0.9327 1.6158 1.5931 1.3251 1.3547 2.4488 1.3194 N-acetyl-glucosamine 1-phosphate N-Acetylglucosamine 1-phosphate 1.2057 1.3602 0.6436 1.3063 0.9652 1.1637 0.6401 1.3589 1.2441 0.5445 0.8251 1.2066 1.2882 1.1975 1.9358 1.2845 0.5445 0.7218 1.4574 0.7043 0.7228 0.6962 1.0131 0.7637 0.9960 0.7953 0.9317 1.1552 1.0501 1.0040 0.8419 0.8536 0.6983 0.5445 0.8585 N-acetylglucosamine 6-phosphate N-Acetyl-glucosamine 6-phosphate 0.8227 1.0136 0.8343 1.4328 1.3495 1.0821 0.7759 1.1626 0.8079 0.8807 1.0269 1.0186 1.1259 1.2563 1.4355 0.9782 0.9578 0.8048 1.0047 1.1478 0.8447 0.9373 0.7567 0.9469 0.9953 1.2515 1.0868 1.1423 1.0183 0.9728 0.7889 1.0877 0.7319 0.8465 0.8299 N-acetylserine N-Acetylserine 1.0983 1.7180 0.8262 0.5442 0.7472 0.7810 0.4660 0.7284 0.9991 0.7471 1.1933 1.2271 0.5534 0.9786 1.2221 1.0107 1.0433 1.1791 1.1828 1.1302 0.8267 0.8968 1.0528 1.0325 0.8914 0.9762 0.7751 1.0009 1.0684 1.0387 1.2562 0.9191 1.3179 0.9619 0.8767 N-acetyltaurine N-Acetyltaurine 0.4911 0.4579 1.5263 0.8079 1.2311 0.9101 0.9173 0.6291 0.9677 1.0717 0.9918 0.3660 0.9622 0.6854 0.9635 1.1770 0.6168 1.1115 0.9913 1.3406 1.5366 1.2146 0.7122 1.5024 1.0985 1.8859 0.7997 1.0508 1.0082 2.4912 1.2681 1.3418 1.6233 0.9118 1.1678 orotate Orotic acid 0.3686 0.7014 0.3686 0.4985 0.3686 0.4636 0.7191 0.3686 0.3686 0.3686 0.3978 0.6539 0.5160 0.3686 0.4496 0.3686 0.3798 1.6571 0.9762 1.4139 1.3885 1.5149 1.3602 0.9700 1.4137 1.2179 1.1136 1.6999 1.2359 0.3686 0.3686 1.0725 0.7858 1.6200 1.0238 phenylpyruvate Phenylpyruvic acid 4.0370 3.1125 2.8159 1.5444 0.7183 1.0403 0.6300 1.5754 2.1990 1.1475 2.7696 1.5643 0.5007 2.2581 3.9189 1.8903 1.2075 0.4762 1.0794 0.7028 0.9597 0.8072 1.1485 1.1184 0.6060 0.2892 0.4946 0.1765 0.4915 0.4929 0.5821 0.5492 0.7068 0.3180 0.7125 pyruvate Pyruvic acid 1.1092 1.1363 1.0644 1.3514 1.2213 1.4216 0.9051 1.1076 0.8478 0.8064 1.1237 1.1380 1.2938 1.7071 1.1889 1.0861 1.0994 0.7594 1.0405 1.0820 0.8296 0.8555 0.7296 1.2718 0.8259 0.9595 1.1115 0.8361 0.8992 0.8626 0.8770 0.8255 0.8715 0.9278 0.9272 quinate Quinic acid 0.4359 1.3769 1.4098 4.6510 0.7975 0.7095 0.4359 0.5257 0.4359 0.4359 0.4359 0.4359 0.4359 0.4359 0.4359 0.9275 0.4359 1.3787 0.4359 1.7739 0.4359 0.4359 0.4359 0.4359 1 1.1020 0.4359 0.4359 0.4359 0.4359 0.4359 0.4359 0.4359 0.4359 0.6172 ribitol Ribitol 1.1809 0.7157 0.5092 0.4470 0.7549 0.9048 0.5207 0.5088 0.5522 0.4707 0.8352 0.6565 0.5880 0.7022 0.5160 0.6477 0.4626 1.2282 1.0077 1.3981 1.3421 1.0675 1.1670 1.2426 1.5104 1.5363 0.9923 1.5317 1.1072 1.4470 1.4814 1.1853 1.6586 1.3298 1.2832 ribonate Ribonic acid 1.6164 0.9825 0.8390 0.6009 0.5578 0.6488 0.4460 0.4233 0.7492 0.5389 1.1084 1.1282 0.5254 0.4039 0.5989 0.5414 0.8565 1.0756 1.4864 0.9046 1.0907 1.0955 1.7926 0.8594 1.1732 1.0175 1.0468 1.1655 1.0700 0.8941 1.2630 1.1065 1.1877 1.2826 1.0263 ribose Ribose 2.8133 2.1743 1.9275 1.3395 1.2381 1.0147 1.4353 1.3183 1.6078 1.3527 2.3007 2.2018 0.8512 1.3795 1.1748 1.2744 1.6709 0.9027 0.9221 0.8623 1.0084 0.9531 0.9401 0.8199 0.9360 0.8050 0.8674 0.8840 0.8222 0.5823 0.9916 0.9727 0.9803 0.7406 0.8194 ribose 1-phosphate Ribose 1-phosphate 0.9486 0.7270 0.6384 0.7411 1.0007 1.3259 0.5683 1.3442 1.1080 0.6400 1.1734 1.5347 1.1316 1.2632 2.1741 2.0801 1.6624 0.6783 1.3297 0.5556 0.8492 0.6174 1.4102 1.1515 1.0083 0.6613 0.8196 1.1230 1.2433 0.5251 0.9993 0.8672 0.8019 0.8361 0.6884 ribose 5-phosphate Ribose 5-phosphate 2.8177 1.6749 0.6960 0.8862 1.1580 0.2716 0.2716 0.4853 1.2317 1.0211 1.6819 1.9792 0.3124 0.7374 2.2831 0.3795 2.6624 1.7204 2.2935 0.5930 1.2824 1.4004 0.8022 0.4804 0.5773 1.1513 1.6808 0.7215 1 0.3871 0.4862 1.1609 0.6333 0.9910 1.1957 ribulose/xylulose Xylulose 0.8799 1.1480 1.2384 0.6293 1.0528 0.7026 0.4845 0.0792 1.0849 0.7754 1.2096 1.1104 0.6381 0.0792 0.8383 0.0792 0.9820 1.3104 0.9952 1.1118 1.2619 1.0987 0.9420 1.1721 1.0048 1.0469 0.8762 0.7832 0.9607 0.0792 0.0792 1.3481 1.2097 0.8609 1.0484 salicylate Salicylic acid 1.0290 1.1795 1.1068 0.8821 0.3991 0.4905 0.8680 0.5237 0.6445 0.7644 1.3363 0.7373 0.7487 0.6998 1.2630 1.3394 0.5839 1.0020 0.3991 0.8626 0.9419 0.8450 2.0801 1.2425 2.5641 1.1223 1.2051 1.0318 1.6224 0.9782 1.0163 1.0436 1 0.6654 0.9038 sebacate (C10-DC) Sebacic acid 1.1196 0.9697 1.0725 0.7401 0.9183 1.0175 0.5005 1.4537 0.4970 1.5145 1.2234 0.7928 0.6701 0.4296 0.8332 0.5633 1.2289 1.0344 1.0242 1.1737 0.9825 0.9782 1.3224 1.2706 1.1217 0.8513 0.8661 1.1285 1.0417 0.8800 1.3223 1.2825 0.7478 0.3844 1.1038 sedoheptulose Sedoheptulose 0.9567 0.9961 0.8837 1.0392 0.5868 1.1388 0.7255 0.4458 0.6641 0.6779 1.0920 0.8013 0.8667 0.6012 0.9542 0.6884 0.9003 1.4364 0.8985 1.4417 1.3440 2.0185 1.2646 1.1477 1.1683 1.1665 1.0857 1.0039 0.8982 1.1653 1.2034 1.4579 0.9582 1.1883 1.4373 sedoheptulose-7-phosphate Sedoheptulose 7-phosphate 0.8815 1.2559 1.3811 1.8511 0.9423 1.6015 1.0201 0.8803 0.8595 1.2596 1.0914 0.9284 1.5060 1.2161 1.3665 1.0453 1.2039 0.9352 0.6681 1.3121 1.0966 1.1842 0.8188 0.7357 0.8985 0.8505 1.1364 0.6034 0.8057 0.9799 0.6702 1.1902 0.7460 0.6991 1.0531 suberate (C8-DC) Suberic acid 4.1453 1.8359 1.6402 1.2907 0.8801 1.5090 1.2090 1.4170 0.7624 1.1045 1.8237 1.0553 0.4852 0.5510 0.7395 0.6787 0.6554 1.9653 1.7514 1.2364 2.3195 0.9447 1.9635 0.6774 0.7513 0.8063 0.8649 1.1520 1.9915 0.8201 0.5546 0.6185 0.7743 0.6635 0.7526 succinate Succinic acid 1.1060 0.2524 0.8228 0.9179 0.9031 1.0481 0.6185 0.6788 0.7558 0.6932 0.9890 0.6539 0.9596 1.0335 0.8634 0.8166 1.2387 1.0121 1.1443 1.0018 1.1321 1.0079 0.8822 1.1309 1.0700 0.6320 0.9539 1.3311 1.1186 1.6232 1.6494 1.5353 1.5169 0.7065 1.1922 sucrose Sucrose 0.9997 7.7226 2.0731 8.7845 1.1095 1.2552 0.5064 0.4519 0.3059 1.3290 0.8608 1.0003 0.2870 0.2870 0.3215 1.1710 0.2870 3.9811 1.6292 2.3203 0.4131 0.2870 0.3398 0.2870 1.5434 0.3557 0.3077 0.2870 0.2870 0.6112 0.2870 1.2083 0.4898 1.1433 0.8552 threonate Threonic acid 1.3029 0.9018 0.9861 0.8952 1.3502 1.3142 0.4712 0.8161 1.3695 0.7853 1.0166 0.8721 0.8724 0.8600 0.8848 1.0139 1.4180 0.8247 0.9223 1.3479 0.5128 0.8265 0.8385 0.8195 1.2648 1.3479 1.0835 1.2830 1.3308 0.9634 1.4589 1.0534 1.0762 1.4571 1.3062 UDP-N-acetylglucosamine/galactosamine UDP-N-acetylgalactosamine 1.6032 1.6459 0.6008 1.1785 0.8416 0.7575 0.2726 1.5198 1.2976 0.9619 1.2914 1.1840 0.7800 1.2418 1.7370 1.0381 1.7591 0.2726 1.1097 0.6627 0.5804 0.2726 0.2726 0.2726 0.7166 0.7876 0.6775 1.2443 0.7532 0.4876 0.2726 0.3839 0.2726 1.0510 0.6454 uridine 5^-monophosphate (UMP) UMP 1.4324 0.7370 0.4756 0.5381 1.2176 1.6219 0.3947 3.2809 2.2433 0.6107 0.6925 1 1.3615 1.1160 2.2510 1.3784 0.9712 0.3947 2.8253 0.8585 0.4372 0.3947 0.3947 0.9455 0.3947 0.3947 0.6096 1.1892 0.5239 1.1170 0.3947 0.7371 0.3947 1.3593 0.9862