Data for (Study ST002471)
(Analysis AN004035)Values for each metabolite have been scaled by dividing by the mean across all factors Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study| Metabolite | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 |
|---|---|---|---|---|---|---|---|---|---|---|
| 1-3-7-trimethylurate | 0.7916 | 1.0671 | 1.1591 | 1.2306 | 0.7986 | 0.9690 | 0.7061 | 0.2089 | 1.2540 | 2.2213 |
| 1-methylhistidine | 1.3891 | 0.7553 | 0.9159 | 0.3660 | 0.6245 | 0.9094 | 1.1388 | 2.8841 | NA | NA |
| 1-methylurate | 0.5951 | 0.2724 | 1.5541 | 1.4809 | 2.6771 | 1.8382 | 0.5733 | 0.9268 | 1.6559 | 0.0676 |
| 1-methylxanthine | 1.0437 | 0.6592 | 1.4396 | 0.7885 | 0.3440 | 1.2063 | 0.8881 | 1.1022 | 1.0612 | 0.9506 |
| 2-(3-hydroxyphenyl)acetic acid (mHPAA) | 0.3105 | 0.9646 | 0.9195 | 1.1987 | 0.4514 | 1.6399 | 1.4359 | 0.6951 | 0.4553 | 0.4111 |
| 2-aminoadipate | 1.0977 | 0.5887 | 1.1228 | 0.8202 | 1.2828 | 1.2076 | 1.0182 | 0.3583 | 1.9703 | 1.6054 |
| 2-aminobutyrate | 1.0409 | 1.4870 | 0.4602 | 0.9366 | 0.4657 | 0.4426 | 1.7672 | 1.1074 | 0.1400 | 0.8646 |
| 2-aminoheptanoate | 1.1470 | 1.0603 | 0.7846 | 2.7121 | 0.3530 | 0.4945 | 1.1916 | 0.1907 | 0.7010 | 0.7338 |
| 2-hydroxy-3-methylbutyrate/hydroxyisovalerate | 0.9280 | 1.5413 | 0.4595 | 1.3008 | 1.8855 | 0.6511 | 0.9674 | 0.8904 | 0.3665 | 1.9491 |
| 2-hydroxy-3-methylpentanoate/hydroxyisocaproate | 1.0626 | 1.6019 | 0.4361 | 1.0457 | 1.9707 | 0.4389 | 1.1165 | 0.8428 | 0.2101 | 1.9493 |
| 2-hydroxyglutarate | 1.0021 | 0.9381 | 0.9113 | 1.0169 | 1.2350 | 1.0533 | 1.2221 | 0.4066 | 0.5109 | 1.7468 |
| 2-isopropylmalate | 0.8082 | 0.2613 | 1.4761 | 1.7260 | 1.0021 | 0.8999 | 0.5595 | 0.9065 | 6.4556 | 0.0823 |
| 3-(3-hydroxyphenyl)propanoic acid (mHPPA) | 0.8422 | 0.5346 | 1.4487 | 0.8738 | 6.5415 | 0.7554 | 0.8407 | 0.3865 | 1.6894 | 0.0193 |
| 3-3-hydroxyphenylpropionate | 0.7476 | 0.5567 | 1.6399 | 0.7737 | 5.7819 | 0.7261 | 0.9129 | 0.3656 | 1.4852 | 0.0171 |
| 3-hydroxykynurenate | 1.1639 | 1.1134 | 0.7708 | 1.4086 | 0.1258 | 1.0435 | 1.4707 | 0.5013 | 0.6471 | 0.0438 |
| 3-hydroxymethylglutarate | 1.4885 | 0.5218 | 1.1883 | 0.7438 | 0.3694 | 1.4913 | 0.6059 | 0.9067 | 2.1577 | 0.9201 |
| 3-methyladipate/pimelate | 1.0926 | 0.5797 | 1.5025 | 1.3957 | 0.5893 | 1.4633 | 0.6188 | 0.2778 | 0.8601 | 0.3006 |
| 3-methylglutaconate | 1.1827 | 0.9738 | 1.1012 | 0.8977 | 1.6762 | 0.9398 | 0.9775 | 0.2894 | 0.8515 | 0.2399 |
| 3-phosphoglycerate | NA | 1.0000 | NA | NA | NA | NA | NA | NA | NA | NA |
| 4-hydroxybenzaldehyde | 1.0593 | 1.2680 | 0.9196 | 0.4006 | 1.2269 | 1.0983 | 0.3859 | 0.2262 | 2.0987 | 1.4884 |
| 4-hydroxybenzeneacetonitrile | 0.7078 | 1.1418 | 0.9274 | 0.6164 | 0.4002 | 1.5257 | 0.8834 | 0.9855 | NA | 0.1409 |
| 4-methylcatechol | 1.1891 | 0.4113 | 1.4104 | 0.6506 | 1.5338 | 1.4303 | 0.9667 | 0.8530 | 0.8785 | 0.2517 |
| 4-nitrophenol | 0.2810 | 0.1466 | 0.7559 | 0.6710 | 0.0978 | 1.3947 | 4.2551 | 0.1215 | 0.3904 | 0.1333 |
| 4-pyridoxate | 0.9706 | 0.2836 | 1.3351 | 1.6728 | 1.0702 | 1.5648 | 1.0669 | 0.5468 | 1.7332 | 0.3813 |
| 5-acetylamino-6-amino-3-methyluracil | 0.8109 | 1.0438 | 1.1998 | 1.1278 | 1.0254 | 0.9388 | 0.5399 | 0.1389 | 3.8506 | 0.6751 |
| 5-dodecenoate | 0.9215 | 1.1792 | 0.7012 | 0.6158 | 2.6845 | 0.6367 | 0.7726 | 4.3852 | 0.3449 | 0.6353 |
| 7-methylxanthine | 0.6476 | 0.5239 | 1.2539 | 1.6484 | 3.4029 | 1.3115 | 0.3866 | 0.7126 | 1.0428 | NA |
| acesulfame | 0.1854 | 2.2516 | 0.9923 | 1.6237 | 0.0153 | 0.2557 | 0.4437 | 1.2489 | 0.0760 | 0.0687 |
| acetylalanine | 0.6912 | 1.8521 | 0.4733 | 0.9247 | 0.9848 | 0.6277 | 1.2128 | 0.2975 | 0.3028 | 0.3697 |
| aconitate | 0.6303 | 1.7157 | 0.6360 | 0.5116 | 1.3903 | 0.5051 | 0.9093 | 1.3252 | NA | 0.7782 |
| adenine | 3.9423 | 0.3372 | 0.7525 | 0.2959 | 1.5697 | 0.6800 | 0.4561 | 0.1261 | 0.5617 | 0.1560 |
| adipate | 1.4911 | 0.8411 | 1.1873 | 0.9082 | 0.7558 | 1.2110 | 0.5755 | 0.2518 | 0.8713 | 0.4374 |
| adipate/methylglutarate | 1.5066 | 0.8625 | 1.1820 | 0.8950 | 0.6240 | 1.2092 | 0.5539 | 0.2316 | 0.9099 | 0.4063 |
| adonitol/arabitol | 0.4481 | 2.2264 | 0.4691 | 0.7917 | 1.3609 | 0.4509 | 0.8563 | 0.6361 | 0.1540 | 0.2713 |
| alpha-glycerophosphate | 3.4672 | 0.8944 | 0.3859 | 1.0142 | 0.1556 | 0.3415 | 0.4792 | 0.4746 | 0.8117 | 0.2899 |
| alpha-hydroxybutyrate/beta-hydroxybutyrate/hydroxyisobutyrate | 0.7703 | 1.5757 | 0.4344 | 1.3050 | 1.4239 | 0.6839 | 1.2958 | 0.8639 | 0.1501 | 1.0972 |
| alpha-keto-beta-methylvalerate/alpha-ketoisocaproate | 0.8714 | 1.2582 | 0.9735 | 0.3509 | 0.7194 | 0.7567 | 1.1171 | 0.1376 | 1.0206 | 2.3922 |
| alpha-ketoglutarate | 0.7448 | 1.3226 | 0.7205 | 0.6112 | 1.1162 | 0.7115 | 1.4469 | 0.2958 | 0.6305 | 2.3277 |
| alpha-ketoisovalerate | 0.8563 | 1.2902 | 0.8741 | 0.9357 | 0.7546 | 0.6825 | 1.1280 | 0.1046 | 0.4874 | 2.1097 |
| anhydroDglucose | 1.6828 | 0.4854 | 1.1839 | 0.5980 | 0.9518 | 1.4384 | 0.6535 | 0.6986 | 1.5944 | 0.6531 |
| aspartate | 0.8787 | 0.8774 | 1.1451 | 0.7473 | 0.6387 | 1.2454 | 0.9187 | 0.6554 | 1.8456 | 0.9264 |
| butyrate | 1.2453 | 0.8486 | 0.9478 | 2.0781 | 1.0496 | 0.8780 | 1.0052 | 0.9258 | 0.6692 | 0.8387 |
| caproate | 1.2428 | 0.7548 | 0.5115 | 3.9232 | 0.2328 | 0.5494 | 1.9630 | 0.4847 | 0.1439 | 1.0316 |
| caprylate | 0.9243 | 0.1850 | 2.2716 | 0.9853 | 0.3668 | 0.3424 | 2.0281 | 0.7988 | 0.2725 | 0.3287 |
| chenodeoxycholate/deoxycholate | 1.3870 | 1.7650 | 0.4193 | 0.6772 | 1.2458 | 0.5949 | 0.8990 | 0.0810 | 0.3433 | 0.0913 |
| citrate/isocitrate | 0.9869 | 0.6418 | 1.2685 | 1.4501 | 1.0137 | 0.9032 | 0.9575 | 2.3697 | 0.8530 | 1.7284 |
| CMPF | 0.8502 | 0.1526 | 0.9302 | 3.9505 | NA | 0.8843 | 1.4142 | 0.1262 | 0.7783 | 0.0476 |
| cystathionine | NA | NA | 1.0344 | NA | NA | 0.8145 | NA | NA | 1.3023 | NA |
| cytidine | 0.2243 | NA | 1.4367 | NA | NA | 1.6332 | NA | NA | 0.1715 | NA |
| dTMP | 0.4126 | 1.6561 | 0.4999 | 0.3718 | 2.6261 | 0.5853 | 0.9432 | 2.5869 | NA | 3.1605 |
| erythronate/threonate | 1.1528 | 0.9766 | 1.0484 | 0.9707 | 0.4680 | 1.0375 | 0.7905 | 1.0426 | 1.6361 | 0.7308 |
| fructose/glucose/galactose | 0.8423 | 0.4820 | 1.1354 | 1.7288 | 1.1104 | 1.2979 | 0.9790 | 1.3473 | 1.1831 | 0.7137 |
| fucose | 0.7283 | 1.3762 | 0.6412 | 2.3545 | 0.6686 | 1.0074 | 0.6228 | 0.5903 | 1.7979 | 0.6018 |
| fumarate/maleate | 0.8292 | 1.0470 | 0.9343 | 1.0389 | 0.6334 | 0.9998 | 1.1869 | 0.5523 | 1.1037 | 1.6584 |
| gentisate | 0.9950 | 1.1502 | 0.9878 | 1.0851 | 1.1058 | 0.8119 | 0.9718 | 1.3854 | 0.9016 | 0.2459 |
| glucuronate | 0.7711 | 0.9074 | 1.4171 | 0.8645 | 0.5396 | 0.8948 | 1.1660 | 0.6790 | 0.6243 | 0.4572 |
| glutamate | 0.6218 | 0.6726 | 1.4267 | 1.1534 | 0.8478 | 1.3569 | 0.8819 | 0.3761 | 1.2355 | 0.8358 |
| glycerate | 0.9219 | 1.6176 | 0.8480 | 0.8394 | 0.9434 | 0.5020 | 0.7795 | 0.1599 | 0.5643 | 1.7783 |
| glycocholate | 0.0388 | 2.1918 | 2.0866 | 0.0193 | 0.0250 | 0.0480 | 0.0331 | 0.0983 | 0.0524 | 0.0597 |
| glycocholate-d4 | 0.9917 | 1.0885 | 0.9386 | 0.9209 | 0.9321 | 0.9501 | 0.9475 | 0.9839 | 0.9611 | 1.4602 |
| glycodeoxycholate/glycochenodeoxycholate | 0.3389 | 2.9290 | 0.9420 | NA | NA | 1.1237 | 0.9696 | 0.6401 | 1.5802 | 0.1299 |
| guanine | 0.9178 | 0.9529 | 1.0335 | 2.6255 | 2.0508 | 1.0233 | 0.4711 | 0.1450 | 0.7239 | NA |
| guanosine | 0.8436 | 0.7453 | 0.7485 | 0.2122 | 7.8550 | 1.4794 | 0.7961 | 1.0092 | 0.3103 | 0.4478 |
| hexose monophosphate | 1.4913 | 0.4728 | 0.4639 | 6.5827 | 0.3072 | 0.2773 | 0.7629 | 2.4670 | 0.2511 | 0.3608 |
| hippurate | 0.4479 | 0.7003 | 1.1345 | NA | NA | 1.5337 | 1.4314 | 0.3042 | 2.2137 | 0.2728 |
| homovanillate | 1.3157 | 1.7171 | 0.4329 | 0.9374 | 0.3190 | 0.3761 | 0.5647 | 0.4389 | 0.1798 | 4.9128 |
| Hydrocaffeic acid | 2.2051 | 0.0697 | 1.5889 | 1.4346 | 0.2596 | 0.7293 | 0.4783 | 5.3086 | 0.0244 | 0.0054 |
| hydrocinnamate | 1.6655 | 0.9551 | 0.6277 | 1.3692 | 2.0569 | 0.4961 | 1.6506 | 0.2712 | 0.2001 | 0.5337 |
| hydroxyphenylacetate | 1.9596 | 0.6281 | 0.8227 | 1.3725 | 3.3860 | 0.8225 | 0.6821 | 0.0977 | 0.1084 | 0.0365 |
| hypoxanthine | 0.7821 | 1.1313 | 1.0792 | 0.7055 | 0.7009 | 1.0431 | 0.9388 | 0.5575 | 1.2949 | 1.0593 |
| indole-3-propionate | 1.2091 | 0.4291 | 0.9679 | 1.7753 | 0.7972 | 1.1941 | 1.3083 | 3.1451 | 0.7571 | 0.5808 |
| indolelactate | 1.0788 | 1.0326 | 0.4172 | 1.2393 | 0.2566 | 1.4172 | 0.9768 | 1.1614 | 0.1212 | 1.8557 |
| indoxylsulfate | 0.6700 | NA | NA | NA | NA | NA | NA | 1.6600 | NA | NA |
| inosine | 0.6821 | 1.2618 | 0.9619 | 0.4061 | 3.2317 | 0.9220 | 0.8738 | 1.5801 | 0.2906 | 0.3859 |
| inosine-15N4 | 0.9700 | 1.2805 | 0.8940 | 0.8126 | 1.1102 | 0.8134 | 0.9053 | 0.9372 | 0.9163 | 1.0059 |
| inositol | 0.7114 | 0.9386 | 0.6499 | 0.5414 | 0.4196 | 0.7421 | 3.0516 | 0.5843 | 0.3847 | 0.3016 |
| isovalerate/valerate/methylbutyrate | 1.1021 | 0.7496 | 0.9747 | 1.2459 | 0.8779 | 1.2442 | 0.9888 | 0.4028 | 1.7588 | 1.4412 |
| lactate | 0.6388 | 1.9405 | 0.4322 | 0.9548 | 0.4157 | 0.4257 | 1.2816 | 0.8694 | 0.1017 | 1.1666 |
| lactose | 0.7664 | 1.0286 | 0.8167 | 1.0274 | 0.5361 | 1.0069 | 1.4198 | 1.7126 | 1.4519 | 0.5965 |
| lithocholate | 1.5581 | 0.3165 | 1.1445 | 0.8481 | 1.6952 | 1.1892 | 0.9696 | 0.0122 | 1.0885 | 0.6276 |
| malate | 0.8347 | 1.0453 | 0.9328 | 1.0524 | 0.6398 | 0.9932 | 1.1901 | 0.5481 | 1.0991 | 1.6630 |
| malonate | 1.1444 | 0.7689 | 1.0264 | 0.9627 | 1.2146 | 1.1468 | 1.1435 | 0.7932 | 1.5509 | 0.3668 |
| mesaconate | 1.0565 | 2.0407 | 0.5629 | NA | NA | 0.8270 | 0.2338 | 0.1768 | 0.3106 | 1.9984 |
| N-acetylglutamate | 1.3426 | 0.4772 | 1.1121 | 1.7408 | 1.0312 | 1.1673 | 1.1923 | 0.6556 | 1.0231 | 0.7881 |
| Ne-Ne dimethyllysine | 0.9929 | 1.3971 | 0.4837 | 0.3838 | 2.0696 | 0.4153 | 1.3276 | 0.2229 | 0.0629 | 0.2702 |
| nicotinate | 1.1584 | 0.6009 | 1.1914 | 1.6890 | 1.3978 | 1.1311 | 1.0103 | 0.5394 | 0.8586 | 0.5692 |
| orotate | 0.7650 | 0.6939 | 1.3984 | 1.5625 | 0.1997 | 0.6728 | 1.5735 | 0.0964 | 2.2292 | 0.9829 |
| oxalate | 0.7334 | 1.0414 | 0.7579 | 1.0041 | 3.2285 | 0.8154 | 1.3004 | 2.4853 | 0.3400 | 0.8595 |
| pantothenate | 1.0020 | 0.6584 | 1.1901 | 1.1843 | 0.6395 | 1.1875 | 1.1776 | 0.4628 | 1.5448 | 1.0709 |
| pentose monophosphate | 3.4656 | 0.6805 | 0.2023 | 0.7606 | NA | 0.3560 | 0.5717 | 0.3913 | 0.2372 | 0.8857 |
| phenylacetate | 1.6175 | 0.9937 | 0.7060 | 1.1370 | 1.5637 | 1.1303 | 0.8261 | 0.1577 | 0.7611 | 0.5085 |
| phenylacetylglutamine | 0.3215 | 0.3010 | 0.1364 | NA | NA | 0.1907 | 0.0615 | 8.8074 | 0.1110 | 0.4321 |
| phenyllactate | 1.2246 | 1.4341 | 0.5290 | 1.1175 | 0.6116 | 0.5151 | 1.1030 | 0.8511 | 0.5365 | 2.2763 |
| propionate | 0.9353 | 1.0937 | 0.9061 | 1.0966 | 1.6404 | 0.9590 | 0.9237 | 1.6097 | 0.8984 | 0.5674 |
| pseudouridine | 0.9172 | 1.1096 | 0.8071 | 1.5498 | 3.4589 | 0.7542 | 0.9548 | 0.8362 | 0.7694 | 0.7224 |
| quinate | 2.2945 | 1.1306 | 0.8657 | 0.1252 | 5.4396 | 0.4310 | 0.1827 | 0.4859 | 0.5612 | 0.1961 |
| quinolinate | 0.9082 | 1.0534 | 1.1041 | 0.7415 | 2.7339 | 0.8724 | 0.9804 | 0.9541 | 0.2641 | 0.1603 |
| saccharic Acid | 1.5678 | 1.1728 | 1.4665 | 0.1385 | 0.2973 | 0.4276 | 0.3382 | 3.9216 | NA | 0.2700 |
| saccharin | 0.7202 | 2.3376 | 0.6262 | 1.4176 | 0.0135 | 0.1562 | 0.1756 | 2.2921 | 0.0203 | 0.0281 |
| salicylate | 0.4634 | 1.6104 | 0.8945 | 1.4641 | 1.4373 | 0.7142 | 0.6993 | 1.5098 | 0.8688 | 0.0598 |
| salicylurate | 0.4131 | 0.9270 | NA | NA | NA | NA | NA | 1.6600 | NA | NA |
| sebacate | 0.9488 | 0.8352 | 1.1638 | 1.4958 | 1.0314 | 1.1229 | 1.1101 | 0.3216 | 0.5431 | 0.4572 |
| sorbitol | 0.0565 | 3.4203 | 0.0678 | 0.8322 | 0.1332 | 0.0950 | 0.1502 | 0.1431 | 0.0459 | 0.0300 |
| suberate | 1.2087 | 0.8076 | 1.1414 | 1.7306 | 1.2042 | 1.0140 | 0.8398 | 0.6046 | 0.7698 | 0.5262 |
| succinate | 1.3121 | 1.1493 | 0.8776 | 0.8212 | 2.0161 | 0.6954 | 0.9025 | 1.5087 | 0.3464 | 0.5921 |
| sucrose/lactose/trehalose | 0.7551 | 1.0643 | 0.8228 | 1.0240 | 0.5939 | 1.0012 | 1.3634 | 1.6574 | 1.4213 | 0.5973 |
| tartarate | 0.3235 | 2.6742 | 0.3695 | 0.1366 | 1.0143 | 0.2017 | 0.4055 | 2.8725 | 0.1523 | 1.7256 |
| taurocholate | 2.4028 | 0.8617 | 0.3701 | NA | NA | NA | 0.6132 | 0.3131 | NA | NA |
| taurodeoxycholate/taurochenodeoxycholate | 0.0964 | 3.6136 | 0.1899 | 0.0694 | 0.0260 | 0.0938 | 0.0562 | NA | NA | 0.0221 |
| tetrahydro-1-methyl-beta-carboline-3-carboxylate | 1.2960 | 0.2047 | 1.6658 | 1.0196 | 0.8419 | 0.5291 | 1.0163 | 3.0131 | 0.3478 | 0.1094 |
| threitol | 0.4402 | 0.7568 | 0.4819 | 5.0747 | 5.1544 | 0.6970 | 0.8231 | 0.6252 | 0.2673 | 0.4721 |
| thymine | 0.9983 | 1.1126 | 1.0924 | 1.0211 | 0.4613 | 0.9257 | 0.8249 | 0.5445 | 1.2834 | 0.9802 |
| thymine-d4 | 1.0273 | 1.0732 | 0.9547 | 0.8966 | 0.9557 | 0.8854 | 1.0255 | 1.1692 | 0.8310 | 1.2782 |
| uracil | 1.0284 | 0.8169 | 1.1722 | 1.0595 | 1.0202 | 1.1143 | 0.9598 | 0.5039 | 1.3724 | 0.8827 |
| urate | 1.6691 | 0.6795 | 0.9431 | 1.7976 | 2.7425 | 1.1269 | 0.3387 | 0.8161 | 1.7966 | 0.1416 |
| uridine | 1.0181 | 0.8582 | 0.9379 | 0.8485 | 3.6658 | 1.0971 | 0.8848 | 0.9833 | 0.9332 | 0.8257 |
| Urolithin A | NA | 2.6887 | NA | NA | NA | NA | 0.1027 | NA | NA | 0.2086 |
| valerate/isovalerate | 1.1056 | 0.7581 | 0.9719 | 1.2479 | 0.8812 | 1.2399 | 0.9932 | 0.3599 | 1.7223 | 1.4208 |
| xanthine | 0.9846 | 0.9705 | 1.1510 | 0.8163 | 1.0695 | 0.9781 | 0.8196 | 0.6864 | 1.5132 | 1.3315 |
| xanthurenate | 1.0158 | 0.4609 | 1.0793 | 1.5370 | 0.8224 | 1.1790 | 1.0665 | 0.6263 | 0.8205 | 0.0566 |
| xylose | 1.1557 | 0.5826 | 1.4028 | 1.2178 | 1.0514 | 1.1370 | 0.8573 | 0.7018 | 1.3862 | 0.6133 |
Factors:
| F1 | collectionWeek:0 | PUCAI_C3_WKall:mild |
| F2 | collectionWeek:0 | PUCAI_C3_WKall:moderate/severe |
| F3 | collectionWeek:12 | PUCAI_C3_WKall:inactive |
| F4 | collectionWeek:12 | PUCAI_C3_WKall:mild |
| F5 | collectionWeek:12 | PUCAI_C3_WKall:moderate/severe |
| F6 | collectionWeek:4 | PUCAI_C3_WKall:inactive |
| F7 | collectionWeek:4 | PUCAI_C3_WKall:mild |
| F8 | collectionWeek:4 | PUCAI_C3_WKall:moderate/severe |
| F9 | collectionWeek:52 | PUCAI_C3_WKall:inactive |
| F10 | collectionWeek:52 | PUCAI_C3_WKall:moderate/severe |