Data for (Study ST002470)
(Analysis AN004031)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-methylhistidine | 0.7651 | 0.2718 | 1.2902 | 0.6651 | 0.1024 | 1.8319 | 1.5514 | 0.6034 | 0.7583 | 0.5584 |
| 1-methylurate | 0.2658 | 0.4989 | 0.8820 | NA | NA | 0.6319 | 4.5818 | 2.1251 | 0.7585 | 1.6448 |
| 1-methylxanthine | 0.4019 | 0.3457 | 0.6685 | 0.1929 | 0.4342 | 0.7225 | 2.2352 | 1.4715 | 3.2705 | 1.3558 |
| 2-(3-hydroxyphenyl)acetic acid (mHPAA) | 0.2623 | 3.9949 | 0.4305 | 0.4085 | 0.1844 | 0.3154 | 0.4560 | 0.1010 | 0.1842 | 0.0978 |
| 2-aminoadipate | 0.7719 | 0.6231 | 1.2650 | 0.8416 | 0.2267 | 1.2866 | 1.1234 | 0.7496 | 1.4436 | 0.5549 |
| 2-aminobutyrate | 1.0132 | 1.1304 | 0.9611 | 0.8505 | 0.6565 | 0.9709 | 0.9271 | 1.1602 | 1.2592 | 0.7424 |
| 2-aminoheptanoate | 0.8513 | 0.9911 | 1.0499 | 1.3449 | 1.8197 | 0.8722 | 0.9510 | 1.5470 | 0.8147 | 0.6813 |
| 2-hydroxy-3-methylbutyrate/hydroxyisovalerate | 0.8195 | 1.0931 | 0.8850 | 0.9156 | 0.8889 | 1.0430 | 0.9728 | 1.3063 | 1.6515 | 1.1314 |
| 2-hydroxy-3-methylpentanoate/hydroxyisocaproate | 0.7994 | 1.1277 | 0.8552 | 0.7874 | 0.7234 | 1.1023 | 0.9280 | 1.5087 | 1.7582 | 1.0809 |
| 2-hydroxyglutarate | 0.9110 | 1.0660 | 0.9319 | 0.7795 | 0.7156 | 1.1227 | 1.0757 | 1.6153 | 0.4586 | 0.7417 |
| 2-isopropylmalate | NA | NA | 0.8097 | NA | NA | 0.8559 | 0.8742 | 3.3169 | 0.1928 | NA |
| 3-3-hydroxyphenylpropionate | NA | NA | 1.1668 | NA | NA | 0.9973 | 0.4875 | NA | 0.5169 | NA |
| 3-hydroxymethylglutarate | 1.0508 | 0.9829 | 0.9601 | 0.9211 | 0.8837 | 1.0294 | 1.0367 | 1.2296 | 0.9780 | 0.9442 |
| 3-methyladipate/pimelate | 0.9457 | 0.9453 | 0.9482 | 1.0328 | 1.2624 | 0.9900 | 1.3217 | 0.6410 | 0.8512 | 0.7929 |
| 3-phosphoglycerate | 0.4084 | 0.5845 | 1.8035 | 0.3998 | 2.1712 | 0.3599 | 0.4041 | 0.3961 | 0.5547 | 9.9265 |
| 4-hydroxybenzaldehyde | 0.8856 | 0.8628 | 1.1544 | 0.9501 | 0.9355 | 1.0172 | 0.9476 | 1.1444 | 1.3302 | 1.4810 |
| 4-hydroxybenzeneacetonitrile | 1.3582 | NA | NA | NA | NA | NA | NA | NA | NA | 0.6418 |
| 4-pyridoxate | 0.5980 | 0.5368 | 1.0171 | 0.8867 | 0.4177 | 1.9992 | 0.9200 | 1.6214 | 0.7152 | 2.2741 |
| 5-dodecenoate | 1.4763 | 1.1937 | 0.7460 | 0.6051 | 0.3561 | 0.5868 | 1.2172 | 1.5185 | 1.4890 | 0.9944 |
| 6-phosphogluconate | 0.6653 | 1.0861 | NA | NA | NA | 0.8104 | NA | 0.8340 | NA | 1.2160 |
| 7-methylxanthine | 0.2511 | 0.4723 | 1.1541 | 1.0113 | 0.6000 | 1.3547 | 1.2813 | 4.0986 | 0.6050 | 0.3736 |
| acesulfame | 0.0154 | 0.1783 | 1.2406 | 0.0082 | 2.9146 | 1.2009 | 0.7127 | NA | 0.1779 | 8.7272 |
| acetaminophen glucuronide | 4.6539 | 1.7291 | 0.1200 | NA | 0.0216 | 0.1316 | 0.1049 | NA | NA | 2.6359 |
| aconitate | 1.1963 | 0.8487 | 1.1777 | 0.7891 | 1.0379 | 1.0482 | 0.8286 | 0.7510 | 1.4032 | 0.8430 |
| adenine | 0.5616 | 0.9284 | 0.5559 | NA | NA | 0.5490 | 0.4731 | 1.5754 | 0.8787 | 3.9006 |
| adipate/methylglutarate | 1.8350 | 1.1332 | 0.7570 | 0.6650 | 0.6258 | 0.7666 | 0.9369 | 0.9448 | 0.7518 | 0.9418 |
| adonitol/arabitol | 0.9785 | 1.1439 | 0.9384 | 0.8026 | 0.7674 | 1.0015 | 0.8419 | 1.3637 | 1.2478 | 1.0258 |
| ADP | 0.8544 | 0.6791 | 0.9700 | 0.7092 | 0.6396 | 0.8897 | 1.4044 | 0.6552 | 1.3328 | 4.8703 |
| alpha-glycerophosphate | 0.7788 | 0.4799 | 1.2037 | 0.9802 | 0.6037 | 1.1675 | 0.9472 | 4.9752 | 1.6599 | 0.6172 |
| alpha-hydroxybutyrate/beta-hydroxybutyrate/hydroxyisobutyrate | 1.9373 | 1.1899 | 0.7110 | 0.5458 | 0.3384 | 0.7847 | 0.8803 | 0.8812 | 0.8983 | 0.8769 |
| alpha-keto-beta-methylvalerate/alpha-ketoisocaproate | 0.7291 | 0.7070 | 0.9838 | 0.7756 | 0.7022 | 1.3937 | 1.2039 | 2.5534 | 1.2016 | 0.6899 |
| alpha-ketoglutarate | 0.6592 | 0.9940 | 0.9158 | 0.9361 | 1.2163 | 0.7588 | 1.0638 | 5.2676 | 0.6503 | 0.8136 |
| alpha-ketoisovalerate | 0.9420 | 0.7544 | 0.9009 | 0.7143 | 0.5883 | 1.2300 | 1.1103 | 3.7136 | 1.0922 | 0.7220 |
| AMP | 0.5418 | 1.0101 | 1.4907 | 0.6779 | 0.9026 | 0.6381 | 0.7560 | 0.6888 | 0.5931 | 4.1047 |
| anhydroDglucose | 1.1769 | 1.0692 | 0.8459 | 1.0597 | 0.8551 | 0.9815 | 1.0982 | 0.9488 | 0.7472 | 0.6943 |
| aspartate | 0.9676 | 1.0442 | 1.0670 | 0.6247 | 0.6355 | 0.7924 | 0.7705 | 1.7837 | 0.9681 | 3.1742 |
| ATP | 0.8880 | 0.7669 | 0.7060 | 0.8320 | 0.1360 | 1.1273 | 1.9410 | 0.6835 | 0.6836 | 2.1787 |
| butyrate | 1.3167 | 0.6402 | 1.1576 | 0.4147 | 0.4916 | 1.3625 | 1.0622 | 0.4411 | 1.5379 | 0.5968 |
| chenodeoxycholate/deoxycholate | 0.2161 | 0.8746 | 0.9504 | 0.7997 | 0.8349 | 1.3256 | 1.1609 | 0.2016 | 0.9908 | NA |
| citrate/isocitrate | 1.3818 | 0.8515 | 1.1191 | 0.7609 | 0.9256 | 0.9596 | 0.8040 | 0.8953 | 1.6611 | 0.9352 |
| CMP | 0.4809 | 1.5251 | 0.5325 | 0.9614 | 1.0882 | 0.7403 | 1.0165 | 0.6375 | NA | 2.8620 |
| CMPF | 0.3656 | 1.1417 | 1.1645 | 2.7501 | 0.9211 | 0.7685 | 1.2163 | 0.0513 | 0.1182 | 0.1146 |
| erythronate/threonate | 0.9877 | 0.9118 | 0.8885 | 0.8567 | 0.7222 | 1.3313 | 1.0018 | 1.4229 | 1.0925 | 0.7117 |
| fructose/glucose/galactose | 1.2299 | 0.9666 | 1.1374 | 0.6870 | 0.4460 | 1.0099 | 0.8623 | 0.0605 | 1.4322 | 1.3445 |
| fucose | 1.0164 | 0.9267 | 1.1155 | 1.1140 | 0.7660 | 0.9475 | 0.9399 | 0.9128 | 1.5037 | 0.9358 |
| fumarate/maleate | 0.8020 | 0.9873 | 1.1080 | 0.7824 | 0.9740 | 1.0523 | 0.9917 | 1.4622 | 0.7426 | 1.0874 |
| GDP | 0.5965 | 0.9030 | 0.9535 | 0.9318 | 0.9712 | 1.0030 | 1.2820 | 0.9852 | 0.9562 | 3.1023 |
| gentisate | 0.3384 | 0.1821 | 1.8867 | NA | NA | 1.3788 | 0.5877 | 0.3821 | 0.8576 | 0.1051 |
| glucuronate | 1.1403 | 0.9836 | 0.8695 | 0.7934 | 0.4875 | 1.1399 | 0.7741 | 1.4293 | 1.0318 | 2.3735 |
| glutamate | 0.8139 | 1.1188 | 1.0955 | 0.7462 | 0.8073 | 0.7833 | 0.8165 | 2.2266 | 0.8004 | 2.0236 |
| glutathione oxidized | 0.1271 | 0.0344 | 2.2559 | 0.0877 | NA | 0.2203 | 0.0696 | 0.2929 | NA | 4.7190 |
| glutathione reduced | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 |
| glycerate | 1.0892 | 1.0836 | 1.2750 | 0.5172 | 0.5284 | 0.9794 | 0.6781 | 0.7107 | 0.8408 | 1.0011 |
| glycocholate | 0.2070 | 0.5432 | 0.9789 | 1.0850 | 1.4019 | 1.3868 | 1.2392 | 1.9934 | 3.8452 | 0.8323 |
| glycocholate-d4 | 1.1268 | 1.0218 | 0.9875 | 0.8770 | 0.7029 | 1.0079 | 0.9076 | 0.9048 | 1.0768 | 1.2649 |
| glycodeoxycholate/glycochenodeoxycholate | 0.1296 | 0.3727 | 1.2758 | 1.3784 | 1.3837 | 1.6632 | 1.1333 | 2.0828 | 2.1649 | 0.3794 |
| GMP | 0.2207 | 0.8817 | 2.1202 | 0.4850 | 0.8956 | 0.1829 | 0.3010 | 1.1292 | 0.4230 | 4.6655 |
| hexose diphosphate | 0.0053 | 0.0550 | 2.4932 | 0.0921 | 0.2472 | 0.0284 | 0.0457 | NA | 0.0372 | 5.5510 |
| hexose monophosphate | 0.4590 | 1.0364 | 1.6519 | 0.5825 | 1.2457 | 0.4964 | 0.8050 | 1.5762 | 0.2794 | 2.8376 |
| hippurate | 2.9510 | 0.8821 | 0.5964 | 0.4776 | 0.3868 | 1.2801 | 0.3308 | 0.1176 | 0.5015 | 0.8748 |
| homovanillate | 1.1040 | 0.7787 | 1.2896 | 0.4876 | 0.5593 | 1.2495 | 0.7727 | 1.5578 | 1.2724 | 0.3883 |
| hydrocinnamate | 0.7232 | 0.7392 | 1.2116 | 1.2615 | 0.8030 | 1.4595 | 0.8475 | 0.9736 | 0.6480 | 0.7626 |
| hypoxanthine | 0.6091 | 1.5400 | 0.7002 | 0.6161 | 0.6714 | 0.6583 | 0.8273 | 2.3116 | 1.9669 | 2.1429 |
| IMP | 0.0555 | 0.1993 | 2.4592 | 0.1027 | 0.0902 | 0.0583 | 0.1289 | 0.5616 | 0.1634 | 14.6345 |
| indole-3-propionate | 0.4930 | 0.4449 | 1.2705 | 1.2137 | 0.6521 | 1.3006 | 1.2180 | 0.8461 | 0.7979 | 0.4539 |
| indolelactate | 0.9221 | 0.5631 | 1.0866 | 0.7531 | 0.5332 | 1.7291 | 0.9916 | 1.2521 | 1.3797 | 0.4687 |
| indoxylsulfate | 0.6094 | 0.4847 | 1.1417 | 1.3755 | 1.4349 | 1.4963 | 1.1079 | 0.1379 | 0.6199 | 1.1004 |
| inosine | 0.6439 | 1.4077 | 0.7013 | 0.5022 | 0.3938 | 0.4588 | 1.2677 | 1.3989 | 3.0242 | 1.9863 |
| inosine-15N4 | 0.9863 | 0.9639 | 0.9998 | 0.9108 | 0.9763 | 1.1053 | 0.9230 | 1.1062 | 1.1396 | 1.0923 |
| inositol | 0.9540 | 1.0553 | 1.0019 | 0.9518 | 1.0375 | 0.9476 | 0.9787 | 1.3634 | 1.0115 | 0.7998 |
| isovalerate/valerate/methylbutyrate | 0.9130 | 0.5438 | 0.8442 | 1.0685 | 0.6335 | 1.7673 | 1.5861 | 0.2070 | 0.3972 | 0.3141 |
| kynurenine | 0.6315 | NA | 1.1415 | NA | NA | 0.9477 | 0.7532 | NA | 1.1017 | NA |
| lactate | 0.8334 | 1.1061 | 0.9587 | 0.9250 | 0.9378 | 1.0583 | 0.9163 | 1.4124 | 0.9372 | 1.0054 |
| lactose | 0.2310 | 0.2637 | 3.3041 | 0.5228 | 0.1107 | 0.4153 | 0.2259 | 0.4230 | 0.0555 | 3.5552 |
| malate | 0.8243 | 1.0022 | 1.0493 | 0.7341 | 0.9219 | 1.1111 | 0.9613 | 1.6195 | 0.7772 | 1.0602 |
| malonate | 1.0549 | 0.9607 | 0.9869 | 1.0446 | 0.9739 | 0.9341 | 1.1756 | 0.9927 | 0.9764 | 0.7196 |
| mesaconate | 1.1325 | 0.9111 | 1.0286 | 0.7780 | 1.0496 | 1.0097 | 0.8222 | 2.2351 | 0.7007 | 1.3827 |
| N-acetylglutamate | 0.6697 | 0.8417 | 1.0440 | 0.8997 | 0.9896 | 1.3088 | 1.1458 | 1.1882 | 1.2562 | 0.8761 |
| Ne-Ne dimethyllysine | NA | NA | 1.0000 | NA | NA | NA | NA | NA | NA | NA |
| nicotinate | 0.8290 | NA | 1.1710 | NA | NA | NA | NA | NA | NA | NA |
| oxalate | 0.9775 | 0.6987 | 1.1820 | 0.8036 | 0.5516 | 0.8534 | 1.4952 | 2.1190 | 1.3500 | 0.3131 |
| pantothenate | 1.2271 | 1.2555 | 0.7632 | 0.7938 | 0.5014 | 0.8447 | 0.9376 | 1.4022 | 0.6698 | 1.5822 |
| pentose monophosphate | 1.3536 | 0.3960 | 0.2154 | NA | NA | NA | NA | NA | 1.0175 | 3.3888 |
| PEP | NA | 0.0712 | 4.6775 | NA | 0.1777 | NA | NA | 0.0121 | NA | 1.9193 |
| phenyllactate | 0.6901 | 0.6215 | 0.9451 | 0.8221 | 0.6798 | 1.2495 | 1.2926 | 1.1531 | 3.9237 | 0.7188 |
| propionate | 0.7657 | 0.6242 | 1.2091 | NA | NA | 1.1757 | 1.0619 | 0.9817 | 1.3219 | 0.8777 |
| pseudouridine | 1.3581 | 1.2221 | 0.9222 | 0.6369 | 0.6524 | 0.8079 | 0.7546 | 1.1655 | 1.1703 | 1.0096 |
| pyruvate | 0.5830 | 1.3344 | 0.4509 | 1.7870 | 1.9161 | 1.6305 | 0.9230 | 2.2443 | 0.2871 | 0.3165 |
| quinate | NA | NA | 0.9031 | NA | NA | NA | NA | 1.1938 | NA | NA |
| quinolinate | 1.1807 | 0.8427 | 1.1172 | 0.7157 | 0.7453 | 1.0945 | 1.0391 | 0.8384 | 1.5202 | 0.3284 |
| saccharin | 1.5456 | 0.0417 | 1.0668 | 0.1187 | 0.0113 | 0.8510 | 0.4979 | 7.9240 | NA | NA |
| salicylurate | 0.5247 | 0.0003 | 1.4278 | 0.7095 | 0.2623 | 1.4939 | 0.5631 | 2.0217 | 1.0260 | NA |
| sebacate | 1.3108 | 1.0553 | 0.8519 | 0.8554 | 0.9688 | 1.0077 | 1.0454 | 0.8386 | 0.6970 | 0.7390 |
| sorbitol | 0.4007 | 0.7394 | 0.8596 | 1.6633 | 1.8879 | 1.6445 | 1.0472 | 1.8172 | 0.4969 | 0.6967 |
| suberate | 1.1000 | 1.0164 | 0.9371 | 1.0262 | 1.0886 | 0.9591 | 1.1024 | 0.8244 | 0.8056 | 0.8465 |
| succinate | 0.9830 | 1.1031 | 0.9531 | 0.8810 | 0.8911 | 0.9812 | 0.9032 | 1.1813 | 0.7165 | 1.5372 |
| sucrose/lactose/trehalose | 0.2878 | 0.3117 | 3.1500 | 0.5507 | 0.1840 | 0.4847 | 0.2820 | 0.4834 | 0.0847 | 3.1404 |
| tartarate | NA | 0.1572 | 3.4654 | 0.1671 | 0.0444 | 0.3398 | 0.5713 | 0.0379 | 0.0379 | 0.0350 |
| taurocholate | NA | NA | 0.4581 | NA | NA | NA | NA | NA | 1.5419 | NA |
| taurodeoxycholate/taurochenodeoxycholate | 0.0971 | 0.4390 | 1.4989 | 0.6953 | 0.3466 | 1.0036 | 0.6029 | 0.8447 | 9.3944 | NA |
| threitol | 0.8305 | 1.0713 | 1.0890 | 0.7930 | 0.6885 | 1.0776 | 0.8483 | 1.3472 | 0.8880 | 1.0794 |
| thymine | 1.1091 | 1.1466 | 0.9202 | 0.7188 | 0.7431 | 0.9618 | 0.9714 | 1.1080 | 1.0193 | 0.7506 |
| thymine-d4 | 1.0949 | 1.0472 | 0.9767 | 0.8877 | 0.9085 | 0.9537 | 0.9169 | 1.0439 | 1.1495 | 1.1436 |
| UDP | 0.7354 | 1.1099 | 1.0708 | 1.6403 | 1.2790 | 0.5502 | 0.9056 | 0.5137 | NA | 1.4633 |
| UMP | 0.4090 | 1.5649 | 0.6716 | 1.5527 | 0.6870 | 0.4225 | 0.6555 | 0.5867 | 0.2272 | 3.2648 |
| uracil | 1.0260 | 0.9703 | 0.8327 | 0.9327 | 0.8386 | 1.0374 | 1.1125 | 1.8518 | 0.8623 | 1.3887 |
| urate | 1.1598 | 0.9848 | 1.0905 | 0.6959 | 0.7957 | 0.8998 | 0.8633 | 1.1957 | 1.3931 | 1.2228 |
| uridine | 1.2629 | 0.9008 | 0.9497 | 0.9067 | 0.8231 | 1.1017 | 0.9338 | 1.4516 | 1.1542 | 0.5906 |
| valerate/isovalerate | 0.8815 | 0.4950 | 0.8878 | 1.1080 | 0.6150 | 1.8242 | 1.6467 | 0.1388 | 0.4287 | 0.1791 |
| xanthine | 0.9845 | 1.2507 | 0.8877 | 0.8781 | 1.1008 | 0.8186 | 0.8951 | 1.2058 | 0.8663 | 1.3726 |
| xanthurenate | 0.7658 | 0.6681 | 0.9960 | 0.2108 | NA | 1.1625 | 0.6455 | 1.3160 | 1.9042 | NA |
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 |