Metabolite_name RefMet_name 7A10 7B10 7C10 7D10 7E 10 6A10 6B10 6C10 6D10 6E 10 Factors - Disease State:No Disease State:No Disease State:No Disease State:No Disease State:No Disease State:Yes Disease State:Yes Disease State:Yes Disease State:Yes Disease State:Yes 2-Aminobutyrate 2-Aminobutyric acid 0.8000 0.4957 0.6266 0.7410 0.8453 0.7936 1.0283 1.2403 0.9526 1.7103 2^-Deoxyguanosine Deoxyguanosine 0.0098 0.0086 0.0077 0.0180 0.0166 0.0560 0.0256 0.0389 0.0368 0.0397 2-Oxoglutarate 2-Oxoglutaric acid 0.4918 0.3707 0.3120 0.3417 0.3923 0.4544 0.4265 1.2367 0.9579 0.4802 3-Hydroxybutyrate 3-Hydroxybutyric acid 0.1574 0.2457 0.1765 0.1942 0.2127 0.1408 0.1188 0.2085 0.1526 0.2421 3-Hydroxyisobutyrate 3-Hydroxyisobutyric acid 0.0525 0.1164 0.0332 0.0468 0.0718 0.0464 0.0715 0.0989 0.0763 0.0675 Acetate Acetic acid 0.9082 2.1034 0.9309 1.2230 1.1713 0.6320 2.2942 1.1484 1.2316 1.4365 Adenosine Adenosine 0.0164 0.0129 0.0358 0.0144 0.0055 0.0192 0.0162 0.0247 0.0316 0.0238 ADP ADP 0.0328 0.0517 0.0767 0.0612 0.0580 0.0736 0.0621 0.0742 0.0263 0.0198 Alanine Alanine 7.0033 6.9698 4.3964 7.0360 5.6796 8.2304 9.5331 13.2792 11.2658 14.6111 Alloisoleucine Alloisoleucine 1.3934 1.9353 1.3708 2.2698 2.1713 1.2608 1.7449 3.2968 2 3.4563 AMP AMP 0.0197 0.0043 0.0102 0.0072 0.0193 0.0576 0.0499 0.0283 0.0289 0.0278 Arginine Arginine 3.8721 3.4052 2.6573 3.6223 4.5552 2.5968 2.1633 5.0989 4.8921 6.4563 Asparagine Asparagine 2.0230 2.0129 1.2864 2.0180 1.5083 2.2320 2.5047 4.0989 4.1368 4.6667 Aspartate Aspartic acid 10.9016 9.4655 7.8849 10.2482 10.2597 6.2272 6.1228 7.3781 6.7105 8.0198 ATP ATP 0.1607 0.1336 0.1739 0.1799 0.1630 0.0960 0.0742 0.0530 0.0974 0.0913 Benzoate Benzoic acid 0.0557 0.0517 0.0281 0.0540 0.0414 0.0288 0.0243 0.0777 0.0526 0.0278 Betaine Betaine 0.4525 0.1983 0.2379 0.3849 0.3122 0.6464 0.5560 0.2756 0.2842 0.8532 Choline Choline 1.6787 1.0819 0.9668 1.1619 1.0497 1.2944 0.7112 2.0424 1.7763 4.0595 Citrate Citric acid 0.3803 0.4741 0.3223 0.4173 0.4945 0.7840 0.6140 0.5053 0.4500 0.5079 Creatine Creatine 0.5475 0.3276 0.3197 0.5036 0.4669 0.2592 0.2186 0.4276 0.2684 0.4127 Creatine phosphate Phosphocreatine 0.4131 0.5302 0.2199 0.1978 0.1492 0.3200 0.2767 0.7774 0.6974 0.9246 Creatinine Creatinine 0.6787 0.5776 0.5550 0.5108 0.4696 0.4208 0.1242 0.5300 0.3974 0.5397 Cytidine Cytidine 0.7508 0.6552 0.3325 0.4281 0.3039 0.0848 0.0715 0.6042 0.2684 0.8135 dCTP dCTP 0.0787 0.0603 0.0384 0.0612 0.0663 0.1264 0.1336 0.1979 0.1211 0.1905 DSS-d6 (Chemical Shape Indicator) 16.3738 21.5603 12.8056 17.9748 13.8011 8.0032 6.7476 17.6926 13.1526 19.8214 dTTP dTTP 0.0262 0.0216 0.0307 0.0144 0.0166 0.0320 0.0189 0.0212 0.0211 0.0357 Ethanol Ethanol 5.5213 2.8793 0.9003 1.5935 2.4199 3.0016 2.5641 3.9117 1.0921 3.9127 Ethanolamine Ethanolamine 1.4557 1.2543 0.7801 1.2518 1.0110 0.8048 0.6788 1.6325 1.5605 2.5317 Formate Formic acid 1.0459 0.9871 0.4476 1.0755 0.6188 0.4832 0.1984 0.9293 0.6658 0.7540 Fucose Fucose 0.2197 0.2759 0.2302 0.2410 0.2569 0.2144 0.1808 0.4028 0.4579 0.1190 Fumarate Fumaric acid 0.0885 0.0948 0.0895 0.0899 0.0608 0.0944 0.1323 0.0883 0.0947 0.1270 Glucose Glucose 6.8557 3.9871 4.6138 4.6942 4.1298 4.7104 5.2321 6.4240 4.4158 5.2262 Glutamate Glutamic acid 14.0393 14.7500 11.5806 14.7374 13.5083 8.8592 8.1903 9.8975 9.9237 10.4167 Glutamine Glutamine 5.2557 4.1767 3.4220 5.0899 4.9144 3.2928 3.5682 6.5018 5.8000 7.7500 Glutathione Glutathione 1.2623 1.6164 1.8056 1.8381 1.7348 3.0384 3.1215 2.1802 2.3079 1.8571 Glycerol Glycerol 1.0557 0.7672 1.7494 0.8201 1.5221 0.4560 0.3846 0.8304 0.9342 1.9563 Glycine Glycine 8.2525 8.2974 4.8465 7.4137 5.2182 8.3936 9.4804 14.3428 12.9342 15.2579 GTP GTP 0.0164 0.0129 0.0153 0.0108 0.0166 0.0336 0.0283 0.0424 0.0447 0.0437 Histamine Histamine 0.1016 0.1293 0.1355 0.1439 0.1050 0.2400 0.2024 0.2332 0.1868 0.2262 Histidine Histidine 0.4721 0.4957 0.2864 0.4424 0.2818 0.3312 0.3941 0.9258 0.8737 1.2460 Hypoxanthine Hypoxanthine 1.3672 1.8448 1.3018 1.5791 1.1851 1.4960 1.1417 1.8799 1.7158 1.0556 Inosine Inosine 0.2098 0.2845 0.9923 0.5683 1.0691 0.8096 0.8974 0.3675 0.1763 0.2341 Isobutyrate Isobutyric acid 1.1934 1.3491 0.8133 1.3993 1.0994 0.9904 1.1255 2.8869 2.2132 3.0317 Isocitrate Isocitric acid 4.4328 3.1379 4.5882 5.2842 4.7431 3.2656 1.7233 4.0601 3.9553 4.5317 Isoleucine Isoleucine 2.8689 3.2069 1.9923 3.3129 2.5801 2.2352 2.6397 6.6290 5.1605 7.0159 Lactate Lactic acid 12.6426 12.5862 10.6189 18.1511 18.1215 17.5152 17.1120 13.5336 17.0421 19.9960 Leucine Leucine 1.1016 1.3448 0.8926 1.2446 0.7900 1.3744 1.2591 2.6148 2.4053 2.2183 Lysine Lysine 3.3246 3.9957 2.6215 3.0108 2.2652 2.4144 3.2794 6.6714 6.0526 7.3889 Malate Malic acid 1.7082 1.4310 1.7596 1.4460 1.5000 2.9440 2.4899 2.3640 2.4289 2.1389 Methanol Methanol 27.7934 11.9009 16.8210 20.6871 16.4972 39.4432 13.0769 22.3039 13.6658 19.7857 Methionine Methionine 1.3377 1.6767 1.0818 1.7698 1.3122 1.1504 1.3779 2.4523 2.2658 2.8016 myo-Inositol Myo-inositol 4.1344 3.5690 3.3427 5.0072 3.7376 1.6304 1.5709 5.1166 4.8158 5.7540 Niacinamide Niacinamide 0.4000 0.3621 0.3811 0.4173 0.3729 0.3232 0.2726 0.3110 0.2921 0.3175 O-Phosphocholine Choline phosphate 0.6689 1.0043 0.3939 0.5827 0.4392 0.6176 0.3279 1.1661 0.7526 0.8175 O-Phosphoethanolamine Phosphoethanolamine 10.1541 8.6336 7.9386 9.4892 9.6934 3.9568 5.3036 5.3534 4.8447 4.3770 Oxypurinol Oxypurinol 11.6393 8.8621 8.5396 9.0252 6.7873 9.2048 7.7638 9.0212 9.4763 9.1508 Phenylalanine Phenylalanine 1.3541 1.4267 0.9693 1.5144 1.1298 1.1008 1.4345 2.9152 2.3158 3.1587 pi-Methylhistidine 1-Methylhistidine 0.0820 0.0345 0.0895 0.0827 0.0442 0.1168 0.2240 0.1979 0.1395 0.1032 Serine Serine 4.3115 3.3793 2.0639 3.0468 3.3702 2.4528 3.9703 8.8799 8.2316 12.8100 sn-Glycero-3-phosphocholine sn-Glycero-3-phosphocholine 5.1148 4.1034 4.0767 4.9784 4.7348 1.9040 1.3914 6.9117 2.1000 10.0675 Taurine Taurine 42.7410 35.1940 34.2302 40.2914 41.8785 25.5472 24.4696 29.4028 29.8947 31.2579 Threonine Threonine 1.8525 3.0431 1.6368 2.5827 2.6215 2.8800 2.8138 6.6148 4.0763 3.9683 Thymidine Thymidine 0.0393 0.0560 0.0179 0.0324 0.0304 0.0864 0.0621 0.1166 0.0763 0.1310 Trimethylamine Trimethylamine 0.0164 0.0216 0.0077 0.0108 0.0110 0.0192 0.0162 0.0530 0.0316 0.0516 Trimethylamine N-oxide Trimethylamine N-oxide 0.3016 0.1638 0.4271 0.6475 1.0718 0.2896 0.4534 1.2686 0.2605 1.0675 Tryptophan Tryptophan 0.2525 0.3060 0.2251 0.3022 0.2182 0.2032 0.1957 0.5618 0.4500 0.5952 Tyramine Tyramine 0.1738 0.1509 0.0946 0.1583 0.2072 0.1696 0.0985 0.1166 0.3868 0.3333 Tyrosine Tyrosine 2.0066 2.1034 1.2353 1.8381 1.2762 1.0880 1.5101 3.1908 2.7579 3.9921 UDP-galactose UDP-galactose 0.0525 0.0603 0.2430 0.0540 0.0856 0.1424 0.1039 0.0742 0.1816 0.0675 UDP-glucuronate UDP-glucuronic acid 0.0426 0.0388 0.1969 0.0432 0.1188 0.2160 0.1242 0.0777 0.0421 0.0556 Uracil Uracil 0.5082 0.4224 0.3197 0.3669 0.2238 0.3856 0.3063 1.3428 1.0395 1.3968 Uridine Uridine 1.0689 0.9397 0.8133 0.9245 0.7735 0.9552 0.9744 0.9859 1.1684 0.7540 Valine Valine 1.5443 1.7241 1.0793 1.8237 1.4448 1.2128 1.3765 3.4417 2.5842 3.7580 Xanthine Xanthine 0.0820 0.0905 0.1458 0.0647 0.0387 0.3936 0.3455 0.4311 0.6289 0.5119