Data for (Study ST004239)
(Analysis AN007056)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 | F11 | F12 | F13 | F14 | F15 | F16 | F17 | F18 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1-methyladenosine | 0.3550 | NA | NA | 0.6293 | 1.8765 | 0.7082 | NA | NA | NA | NA | 1.5596 | 1.1632 | NA | NA | NA | NA | NA | NA |
| 1-methylhistamine | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| 1-methylnicotinamide | 0.7053 | 0.7377 | 0.7555 | 0.6849 | 0.7409 | 0.7193 | 0.6362 | 0.6996 | 0.7588 | 0.6178 | 0.6334 | 0.8032 | 1.9150 | 2.0496 | 1.7466 | 1.9686 | 1.9841 | 1.6946 |
| 1-pyrroline-5-carboxylase[15]N | NA | NA | NA | NA | NA | NA | 0.3548 | 0.5198 | 0.5346 | 0.5614 | 0.6086 | 0.6033 | 1.7237 | 1.9314 | 2.0149 | 2.0647 | 1.8880 | 1.5821 |
| 1-pyrroline-5-carboxylate | NA | NA | NA | NA | NA | NA | 0.8884 | 0.9183 | 0.9767 | 0.7160 | 0.9774 | 0.8647 | 0.7680 | 1.2250 | 1.5022 | 1.0055 | 1.6373 | 1.1791 |
| 1-pyrroline-5-carboxylate[13]C1[15]N1 | NA | NA | 1.5723 | NA | NA | NA | NA | NA | NA | 0.2369 | NA | NA | 0.5953 | 1.2591 | NA | 0.5052 | NA | NA |
| 1-pyrroline-5-carboxylate[13]C5 | NA | NA | NA | NA | NA | NA | 0.2589 | NA | 0.8574 | 0.3586 | 0.5834 | 0.8379 | 0.4990 | NA | 2.1207 | 1.0097 | 1.4967 | 1.7306 |
| 2-deoxycytidine | 0.4150 | 0.6256 | 0.9142 | 0.3812 | 0.6470 | 0.8535 | 0.8649 | 1.4186 | 1.2939 | 0.9601 | 1.1980 | 1.3462 | NA | NA | NA | NA | NA | NA |
| 5-adenosylhomocysteine | 0.8886 | 1.0198 | 1.0858 | 0.7484 | 1.1609 | 1.5605 | 1.0500 | 0.9425 | 0.8315 | 0.8772 | 1.1058 | 1.1238 | NA | NA | NA | NA | 0.0230 | NA |
| 5-aminolevulinic acid | 0.1068 | 0.2085 | 0.0955 | 0.0934 | 0.1482 | 0.1562 | 1.2856 | 1.3034 | 1.1885 | 1.2447 | 1.3230 | 1.3096 | 0.7984 | 0.9357 | 2.0637 | 0.9272 | 1.7571 | 1.3995 |
| 5-hydroxytryptophan | NA | NA | NA | NA | NA | NA | 1.2037 | 1.5647 | 0.9052 | 0.7695 | 1.5961 | 1.5548 | 0.8514 | 1.3579 | 0.4899 | 0.7337 | 0.5520 | 0.5534 |
| acetylcholine | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| adenosine | 0.9761 | 0.9707 | 0.8384 | 0.9786 | 0.9076 | 1.0516 | 1.2717 | 1.3310 | 1.1541 | 1.5051 | 1.6046 | 1.5721 | 0.2927 | 0.2694 | 0.2002 | 0.2237 | 0.2648 | 0.1491 |
| ADMA | 0.6281 | 0.5631 | 0.4938 | 0.5269 | 0.5971 | 0.6860 | 1.9312 | 1.7872 | 1.1730 | 1.6196 | 1.8047 | 1.6579 | 0.1318 | 0.2023 | 0.0283 | 0.0875 | 0.0751 | 0.0327 |
| alanine | 0.1709 | 0.1992 | 0.1709 | 0.1868 | 0.1706 | 0.1645 | 1.5291 | 1.5598 | 1.2100 | 1.3365 | 1.5330 | 1.5910 | 1.2393 | 1.6865 | 0.2678 | 1.1249 | 0.8016 | 0.2981 |
| allantoin | 0.6387 | NA | 0.1045 | 0.2229 | NA | 0.1302 | 0.4881 | 0.2205 | 0.0512 | 0.1138 | 0.1182 | 0.0921 | 2.9635 | 4.5998 | 0.2419 | 2.1237 | 1.1308 | 0.3119 |
| alpha-glycerophosphocholine | 0.9671 | 0.9161 | 0.6436 | 0.8381 | 0.5972 | 0.4919 | 1.4823 | 1.5061 | 0.9979 | 1.1561 | 1.0123 | 0.8677 | 0.7906 | 1.0462 | 0.8787 | 1.0177 | 0.9605 | 0.8075 |
| anserine | NA | 0.1833 | NA | 0.1360 | NA | NA | NA | 8.0353 | NA | NA | NA | 0.3256 | 0.7018 | 0.8825 | 0.6831 | 0.9542 | 0.6337 | 0.8341 |
| anthranilic acid | 1.3438 | 2.6153 | NA | NA | 0.7461 | 0.8648 | 1.1578 | 0.9325 | 1.1886 | 0.1825 | 1.1678 | 1.1754 | 0.2833 | 0.7321 | NA | 0.3793 | 0.4406 | 1.0268 |
| arginine | 0.3881 | 1.1913 | 0.2184 | 0.2768 | 0.2375 | 0.2395 | 1.6174 | 2.2235 | 1.7299 | 1.4490 | 1.5453 | 1.5873 | 0.1428 | 0.7629 | 0.0327 | 0.0734 | 0.0907 | 0.0413 |
| arginine[13]C1[15]N1 | 0.8725 | 0.0456 | 1.1340 | 0.7049 | 0.8841 | 1.0007 | 0.8420 | 0.0156 | 1.3443 | 0.9112 | 1.0703 | 1.2340 | 1.2289 | 0.1681 | 2.0840 | 1.4544 | 1.7640 | 1.8240 |
| arginine [13]C5 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| arginine[15]N | 0.5026 | 0.9056 | 0.4239 | 0.3777 | 0.3814 | 0.4144 | 1.4638 | 1.7452 | 1.6603 | 1.3182 | 1.4090 | 1.5404 | 0.3826 | 0.5707 | 0.4946 | 0.3799 | 0.4595 | 0.4334 |
| argininosuccinate | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| asparagine | 0.1499 | 0.2015 | 0.0960 | 0.1363 | 0.1507 | 0.1443 | 1.5491 | 1.5458 | 1.3209 | 1.3813 | 1.5726 | 1.5009 | 0.7435 | 0.7752 | 1.2729 | 0.7823 | 0.8871 | 0.9189 |
| aspartate | 0.6144 | 0.7175 | 0.3900 | 0.4769 | 0.5484 | 0.5438 | 1.5139 | 1.6716 | 1.2086 | 1.3459 | 1.4808 | 1.4563 | 0.4820 | 0.6209 | 0.6133 | 0.5585 | 0.5619 | 0.5184 |
| beta-alanine | 0.1067 | 0.1316 | NA | 0.1411 | 0.0520 | 0.1743 | 0.8303 | 0.8642 | 0.4822 | 0.9707 | 0.9897 | 1.4929 | 1.7104 | 2.0698 | 1.1114 | 1.6723 | 1.5583 | 1.1196 |
| betaine | 0.0724 | 0.0754 | 0.0809 | 0.0750 | 0.0781 | 0.0768 | 0.6721 | 0.6714 | 0.5503 | 0.6285 | 0.6707 | 0.6647 | 2.6911 | 2.7966 | 2.6743 | 2.7851 | 2.5745 | 2.3045 |
| butyrobetaine | NA | NA | NA | NA | NA | NA | 0.7317 | 0.7146 | 0.8229 | 0.7472 | 0.7597 | 0.8432 | 1.1478 | 2.6623 | NA | 0.9547 | 1.5281 | NA |
| C10:2 carnitine | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.8016 | 0.4023 | 1.1496 | 1.1993 | 1.1839 | 0.8486 |
| C10 carnitine | NA | NA | 0.1143 | NA | NA | NA | 0.3226 | 0.6383 | NA | NA | NA | NA | 1.2925 | 1.0431 | 0.8759 | 1.0654 | 1.2100 | 1.1548 |
| C12:1 carnitine | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0577 | 0.5955 | 0.7809 | 1.3875 | 1.1554 | 1.2455 |
| C12 carnitine | NA | NA | NA | NA | NA | NA | 0.5283 | 0.3272 | 0.2929 | 0.5116 | 0.4914 | 0.3323 | 1.1484 | 0.9998 | 1.6844 | 1.3927 | 1.7239 | 1.6450 |
| C14:1 carnitine | NA | NA | NA | NA | NA | NA | 0.7287 | 0.5214 | 0.3005 | 0.5495 | 0.6038 | 0.4529 | 1.5903 | 1.2719 | 1.9064 | 1.8560 | 2.3637 | 2.3744 |
| C14:2 carnitine | NA | NA | NA | NA | NA | NA | 0.2460 | 0.1969 | NA | NA | 0.2763 | NA | 1.1813 | 1.1362 | 0.7144 | 1.5381 | 1.6469 | 1.0624 |
| C14 carnitine | 0.0928 | 0.0805 | 0.1146 | 0.1104 | 0.1314 | 0.1021 | 0.7032 | 0.6895 | 0.3512 | 0.6445 | 0.6468 | 0.5102 | 2.0074 | 1.9821 | 3.0805 | 2.0876 | 2.2637 | 2.7916 |
| C16 carnitine | 0.1955 | 0.1943 | 0.0817 | 0.2016 | 0.1417 | 0.1248 | 0.5577 | 0.5624 | 0.2625 | 0.5384 | 0.4976 | 0.3943 | 2.3655 | 2.2846 | 4.4217 | 2.4408 | 2.6209 | 3.3008 |
| C18:1 carnitine | 0.3074 | 0.2923 | 0.1506 | 0.3058 | 0.2239 | 0.2060 | 0.7083 | 0.7233 | 0.4020 | 0.6710 | 0.6675 | 0.5259 | 2.3753 | 2.3475 | 3.0685 | 2.4348 | 2.3815 | 2.5103 |
| C18:2 carnitine | 0.0756 | 0.0472 | NA | 0.0534 | 0.0377 | 0.0386 | 0.3558 | 0.3556 | 0.1575 | 0.3198 | 0.3140 | 0.2275 | 3.4430 | 3.6326 | 2.6551 | 3.4107 | 3.1918 | 2.6335 |
| C18 carnitine | 0.7159 | 0.7336 | 0.4395 | 0.6833 | 0.5519 | 0.5320 | 1.1675 | 1.2513 | 0.8113 | 1.0853 | 1.0866 | 0.9421 | 0.8407 | 0.8323 | 2.4373 | 0.9318 | 1.0680 | 1.5455 |
| C20:4 carnitine | 0.0992 | NA | NA | 0.0606 | NA | NA | 0.3473 | 0.3361 | 0.0944 | 0.3109 | 0.3795 | 0.1671 | 2.3568 | 2.2019 | 2.1041 | 2.5223 | 2.4470 | 2.1966 |
| C20 carnitine | 0.6455 | 0.5999 | 0.7293 | 0.6826 | 0.6450 | 0.5663 | 1.0648 | 1.0478 | 0.9561 | 0.9777 | 1.0335 | 1.0558 | 1.1711 | 1.4373 | 1.4471 | 1.2845 | 1.2813 | 1.0304 |
| C26 carnitine | 0.6139 | 0.5594 | 0.5629 | 0.6170 | 0.6484 | 0.6106 | 0.9318 | 0.9740 | 0.7505 | 0.7945 | 0.8946 | 0.8095 | 1.8251 | 2.1109 | 1.5179 | 1.8035 | 1.5028 | 1.3181 |
| C2 carnitine | 0.0156 | 0.0125 | 0.0077 | 0.0126 | 0.0131 | 0.0093 | 0.8223 | 0.7822 | 0.6366 | 0.7180 | 0.7758 | 0.7412 | 2.7656 | 2.4975 | 2.6230 | 2.6752 | 2.2310 | 2.1850 |
| C3 carnitine | 0.0143 | 0.0127 | 0.0152 | 0.0138 | 0.0136 | 0.0121 | 0.3826 | 0.4729 | 0.4724 | 0.3632 | 0.4501 | 0.5595 | 3.4135 | 2.9933 | 2.7448 | 3.2645 | 2.9191 | 2.5243 |
| C3-DC-CH3 carnitine | 0.1496 | 0.1552 | 0.0761 | 0.1214 | 0.1243 | 0.1023 | 1.0257 | 1.0401 | 0.8600 | 0.9981 | 0.9980 | 0.9364 | 1.9796 | 2.0772 | 1.8958 | 2.0863 | 1.8959 | 1.6197 |
| C4 carnitine | NA | NA | NA | NA | NA | NA | 0.6109 | 0.5750 | 0.4318 | 0.5918 | 0.6101 | 0.5155 | 2.0016 | 1.7508 | 1.9636 | 2.0188 | 1.8458 | 1.7495 |
| C4-OH carnitine | NA | NA | NA | NA | NA | NA | 0.9311 | 0.8791 | 0.7153 | 0.8325 | 0.8719 | 0.8079 | 1.4049 | 1.3395 | 1.4997 | 1.3891 | 1.1538 | 1.1375 |
| C5:1 carnitine | NA | NA | NA | NA | NA | NA | 0.7747 | 0.7260 | 0.7125 | 0.7271 | 0.7407 | 0.7178 | 1.5632 | 1.5672 | 1.5179 | 1.5320 | 1.5390 | 1.4830 |
| C5 carnitine | NA | NA | NA | NA | NA | NA | 0.6758 | 0.6254 | 0.5430 | 0.6340 | 0.6501 | 0.5981 | 1.8880 | 1.6631 | 1.7700 | 1.8247 | 1.7936 | 1.6078 |
| C6 carnitine | NA | NA | NA | NA | NA | NA | 0.6056 | 0.5348 | 0.4090 | 0.6093 | 0.5966 | 0.5016 | 1.2505 | 0.8844 | 2.5923 | 1.5372 | 2.4612 | 2.7604 |
| C7 carnitine | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| C8 carnitine | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| cAMP | 0.5077 | 0.4276 | 0.9799 | 0.3300 | NA | 0.5673 | 1.2111 | 0.9047 | 1.1252 | 0.7242 | 1.3735 | 1.4914 | NA | NA | NA | NA | NA | NA |
| carnitine | 0.0171 | 0.0181 | 0.0159 | 0.0203 | 0.0130 | 0.0084 | 0.4674 | 0.4562 | 0.3276 | 0.4079 | 0.4317 | 0.3861 | 3.7028 | 3.3916 | 2.6487 | 3.6288 | 3.0530 | 2.5285 |
| carnosine | 1.4416 | 1.8570 | 0.7704 | 1.3021 | 1.2441 | 1.2552 | 1.1645 | 1.3519 | 0.4585 | 1.0251 | 1.1247 | 0.8411 | 0.0894 | 0.1308 | 0.0702 | 0.1473 | 0.0841 | 0.0726 |
| choline | 0.7908 | 0.2233 | 0.2625 | 0.5689 | 0.2915 | 0.1007 | 2.2294 | 1.3856 | 0.8004 | 1.9437 | 1.4803 | 0.7070 | 0.7374 | 0.7344 | 0.9043 | 0.7966 | 0.7451 | 0.7516 |
| citrulline | 0.4786 | 0.4654 | 1.9271 | 1.2880 | 0.2659 | 0.8417 | 0.4271 | 0.7286 | 0.2146 | 0.5293 | 0.4564 | 0.4344 | 2.4738 | 2.4745 | 1.7261 | 2.3223 | 2.4075 | 1.7481 |
| citrulline[13]C1[15]N1 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| citrulline[13]C5 | 0.6574 | 0.3325 | 2.1046 | 1.1776 | NA | 0.7453 | 0.2834 | 0.6806 | 0.0803 | 0.4217 | 0.9504 | 0.2471 | 1.7319 | 1.5487 | 1.1263 | 1.4058 | 1.4162 | 1.1132 |
| citrulline[15]N | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| cotinine | 0.7710 | 0.7162 | 0.5484 | 0.9024 | 0.6090 | 1.1106 | 0.6678 | 0.7427 | 6.2113 | 0.4676 | 0.9444 | 0.3362 | 0.8660 | 1.5223 | 0.7406 | 0.9664 | 0.7029 | NA |
| creatine | 0.0120 | 0.0159 | 0.0184 | 0.0158 | 0.0096 | 0.0144 | 0.7427 | 0.7583 | 0.6617 | 0.7254 | 0.7450 | 0.7422 | 2.5758 | 2.6144 | 2.5055 | 2.6375 | 2.6461 | 2.1839 |
| creatinine | 0.0227 | 0.0230 | 0.0337 | 0.0439 | 0.0115 | 0.0123 | 0.1809 | 0.2091 | 0.1512 | 0.2049 | 0.1851 | 0.1886 | 5.0182 | 7.2532 | 1.1692 | 3.8951 | 1.9883 | 0.9970 |
| cytosine | 0.4950 | 0.7025 | 0.8912 | 0.4159 | 0.6985 | 0.8722 | 0.8685 | 1.4154 | 1.2859 | 0.9051 | 1.1922 | 1.2953 | NA | NA | NA | NA | NA | NA |
| dimethylglycine | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| GABA | 0.6794 | 0.8056 | 0.4444 | 0.5325 | 0.4615 | 0.5368 | 1.2751 | 1.3726 | 2.2849 | 1.4612 | 1.5723 | 2.2949 | 0.0028 | 0.0033 | 0.0022 | 0.0029 | 0.0044 | 0.0025 |
| glucose | NA | 2.0232 | 0.2995 | 0.7072 | 0.1275 | NA | NA | 0.3626 | 0.3452 | 0.4222 | 0.4534 | 0.4621 | 2.1204 | 3.4078 | 0.5828 | 1.1110 | 0.6159 | 0.2534 |
| glutamate | 0.6171 | 1.0843 | 0.2032 | 0.4132 | 0.4197 | 0.3318 | 1.5980 | 2.0258 | 1.3757 | 1.5187 | 1.7674 | 1.5902 | 0.1538 | 0.1263 | 0.2922 | 0.1667 | 0.1941 | 0.2458 |
| glutamate[13]C3[15]N1 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| glutamate[13]C5 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| glutamate[15]N | 0.5936 | 0.8091 | NA | 0.4464 | 0.4461 | NA | 0.9029 | 1.2791 | 1.0753 | 0.9104 | 1.1906 | 1.0836 | NA | NA | NA | NA | NA | NA |
| glutamine | 0.0483 | 0.3145 | 0.0404 | 0.0443 | 0.0409 | 0.0346 | 1.7612 | 2.0051 | 1.1263 | 1.6289 | 1.5926 | 1.3291 | 0.9523 | 1.1267 | 0.2453 | 0.9498 | 0.9749 | 0.3416 |
| glutamine[13]C1[15]N1 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| glutamine[13]C5 | 0.5125 | 0.0269 | 0.3429 | 0.5068 | 0.4577 | 0.5027 | 0.5568 | 0.0111 | 1.9657 | 0.5652 | 1.0378 | 1.6297 | 0.4960 | 0.2432 | 3.8684 | 0.7737 | 1.6552 | 2.4620 |
| glutamine[15]N | NA | 0.3134 | NA | NA | NA | NA | 1.3947 | 1.5774 | 0.8808 | 1.2823 | 1.2504 | 1.0548 | 0.7480 | 0.8686 | 0.1878 | 0.7363 | 0.7909 | 0.2453 |
| glycine | 0.1829 | 0.2251 | 0.2120 | 0.2160 | 0.1689 | 0.1733 | 0.9906 | 1.0399 | 0.6587 | 0.9427 | 0.9629 | 0.9051 | 2.2073 | 2.3068 | 1.5765 | 2.2409 | 1.9795 | 1.5113 |
| histamine | 0.7186 | 0.7557 | 0.4933 | 1.1025 | 0.4429 | 0.6400 | 0.8863 | 3.6085 | 0.5792 | 0.6839 | 0.7258 | 0.7534 | 1.6270 | 1.2724 | 0.3910 | 0.5980 | 0.9369 | 0.5476 |
| histidine | 0.2681 | 0.4326 | 0.3422 | 0.2292 | 0.2427 | 0.3833 | 1.6100 | 1.3531 | 1.5629 | 1.3508 | 1.8081 | 1.8928 | 0.4590 | 0.5066 | 0.5053 | 0.4911 | 0.5519 | 0.4327 |
| homocysteine | 0.5921 | 0.9624 | 2.4149 | NA | 2.4462 | 3.2398 | 1.3508 | NA | 0.3793 | 0.1813 | 0.2994 | 0.7438 | NA | NA | NA | NA | NA | NA |
| isoleucine | 0.1875 | 0.2154 | 0.1663 | 0.1784 | 0.1718 | 0.1662 | 0.8193 | 0.8235 | 0.9003 | 0.7005 | 0.9171 | 0.9386 | 2.2466 | 1.8383 | 2.1246 | 2.3158 | 2.2822 | 1.9085 |
| kynurenic acid | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| leucine | 0.3801 | 0.5376 | 0.2803 | 0.3717 | 0.4200 | 0.3667 | 1.0946 | 1.3611 | 0.8791 | 0.9678 | 1.2451 | 1.1704 | 1.3999 | 1.5333 | 1.2540 | 1.4337 | 1.3893 | 1.1969 |
| lysine | 0.3341 | 0.3137 | 0.2499 | 0.2350 | 0.2719 | 0.3277 | 1.7698 | 1.5873 | 1.6232 | 1.2837 | 1.6227 | 2.1466 | 0.3054 | 0.4124 | 0.4717 | 0.3054 | 0.3568 | 0.3495 |
| methionine | 0.1899 | 0.2526 | 0.1105 | 0.1810 | 0.1750 | 0.1372 | 0.8598 | 0.9427 | 0.7109 | 0.7241 | 0.9459 | 0.8244 | 2.1496 | 2.3358 | 2.0872 | 2.2834 | 2.2427 | 1.8393 |
| methionine sulfoxide | 0.1669 | 0.1741 | 0.3462 | 0.1869 | 0.0683 | 0.1052 | 1.4305 | 1.6830 | 1.0303 | 1.1621 | 1.2951 | 1.2870 | 1.0045 | 0.9008 | 1.0810 | 0.8641 | 0.8900 | 0.8429 |
| methylthioadenosine | 0.5294 | 0.4367 | 0.2857 | 0.4783 | 0.6256 | 0.5918 | 1.7454 | 1.6600 | 1.0645 | 1.6645 | 2.0848 | 1.8641 | 0.2048 | 0.2222 | 0.1247 | 0.1494 | 0.0847 | 0.1003 |
| N-carbamoyl-beta-alanine | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.9746 | 1.3134 | NA | 0.8831 | 0.8001 | NA |
| niacinamide | 1.2687 | 0.9488 | 1.0978 | 1.1437 | 0.8159 | 0.9079 | 1.2877 | 1.2812 | 1.6624 | 1.1595 | 1.4010 | 1.4972 | 0.2146 | 0.2625 | 0.1828 | 0.2151 | 0.2268 | 0.1373 |
| NMMA | 0.3514 | 0.3045 | 0.2887 | 0.2409 | 0.2810 | 0.3727 | 1.8935 | 1.7736 | 1.0925 | 1.4854 | 2.0139 | 2.1577 | 0.3027 | 0.3891 | 0.0666 | 0.2283 | 0.2418 | 0.0991 |
| ornithine | 0.0750 | 0.1280 | 0.1057 | 0.0762 | 0.0509 | 0.0798 | 1.2165 | 1.5279 | 1.6145 | 1.0306 | 1.0249 | 1.1677 | 1.6916 | 4.6500 | 0.1533 | 1.0660 | 0.5790 | 0.1805 |
| ornithine[13]C1[15]N1 | 0.0344 | 0.0276 | 0.0789 | 0.0239 | 0.0377 | 0.0692 | 0.3641 | 0.0109 | 1.7851 | 0.5391 | 0.9835 | 1.4791 | 0.9527 | 0.0670 | 4.3529 | 1.5880 | 2.3233 | 2.8726 |
| ornithine [13]C5 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| ornithine[15]N | NA | NA | NA | NA | NA | NA | 0.6137 | 0.5198 | 0.7819 | 0.5759 | 0.6028 | 0.6370 | 0.9306 | 1.7895 | 2.0341 | 0.9920 | 1.1110 | 1.3020 |
| phenylalanine | 0.3477 | 0.5207 | 0.2863 | 0.3462 | 0.3992 | 0.3526 | 1.1788 | 1.5146 | 0.9484 | 1.0274 | 1.3549 | 1.3001 | 1.1405 | 1.5277 | 1.0795 | 1.1286 | 1.2379 | 0.9847 |
| phenylalanine-d8 | 1.0898 | 1.0725 | 1.1857 | 1.0332 | 1.0180 | 1.1764 | 0.9431 | 0.9343 | 1.1214 | 0.9603 | 1.0452 | 1.1180 | 0.7952 | 0.9152 | 0.9428 | 0.8071 | 0.8772 | 0.8423 |
| phosphocholine | 0.5454 | 0.4357 | 0.7291 | 0.5464 | 0.8754 | 0.8190 | 1.4469 | 1.1348 | 1.8420 | 1.4271 | 2.2259 | 1.9170 | 0.0097 | 0.0184 | 0.0088 | 0.0094 | 0.0080 | 0.0074 |
| phosphoethanolamine | 0.3285 | 0.3395 | 1.0222 | 0.3086 | 0.4647 | 0.8201 | 0.8955 | 0.8109 | 2.2356 | 0.7755 | 1.2069 | 1.9133 | 0.0230 | 0.0496 | NA | NA | NA | NA |
| pipecholic acid[13]C1[15]N1 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| pipecolic acid | 0.7742 | 0.7922 | 0.8702 | 0.5304 | 0.6802 | 0.8490 | 1.5694 | 1.6934 | 1.3232 | 1.3837 | 1.4508 | 1.7426 | 0.0391 | 0.0525 | 0.0227 | 0.0377 | 0.0267 | 0.0201 |
| pipecolic acid [13]C5 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| pipecolic acid[15]N | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| proline | 0.1794 | 0.3550 | 0.1749 | 0.1639 | 0.1833 | 0.1952 | 1.3890 | 1.7436 | 1.1923 | 1.1485 | 1.2028 | 1.2776 | 1.6884 | 2.3919 | 0.2744 | 1.3899 | 0.8080 | 0.2884 |
| proline[13]C1[15]N1 | 0.4017 | NA | 0.8982 | 0.3226 | 0.6428 | 0.7745 | 1.3756 | NA | 2.9036 | 1.8789 | 2.1607 | 2.1891 | 0.1335 | 0.0183 | 0.5066 | 0.2410 | 0.3653 | 0.4080 |
| proline [13]C5 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| proline[15]N | 0.1278 | 0.0085 | 0.0865 | 0.1052 | 0.1128 | 0.1223 | 0.4086 | 0.0167 | 0.9971 | 0.5642 | 0.8323 | 1.0309 | 1.3202 | 0.0816 | 4.7319 | 2.3158 | 3.4648 | 3.8230 |
| putrescine | 1.1847 | 1.2033 | 0.6372 | 1.0301 | 0.9832 | 0.7974 | 1.6291 | 1.6721 | 1.3063 | 1.5278 | 1.5370 | 1.3820 | 0.0113 | 0.0185 | 0.0026 | 0.0098 | 0.0089 | 0.0044 |
| pyroglutamic acid | 0.0404 | 0.3191 | 0.0368 | 0.0362 | 0.0323 | 0.0292 | 1.7565 | 2.0249 | 1.1180 | 1.6260 | 1.5887 | 1.3172 | 0.9694 | 1.1428 | 0.2366 | 0.9607 | 0.9928 | 0.3413 |
| s-adenosylmethionine | 0.7953 | 1.0352 | 0.6482 | 0.7440 | 0.9978 | 1.0902 | 1.7674 | 1.4726 | 1.0918 | 1.3553 | 1.8067 | 1.4871 | 0.1384 | 0.1472 | 0.1210 | 0.1198 | 0.1208 | 0.0807 |
| sarcosine | 0.0212 | 0.0443 | 0.0342 | 0.0358 | 0.0233 | 0.0278 | 0.6857 | 0.7040 | 0.6333 | 0.6782 | 0.7060 | 0.7192 | 2.4900 | 2.5288 | 2.2655 | 2.5542 | 2.4514 | 1.9791 |
| SDMA | 0.8227 | 0.7589 | 0.6169 | 0.7012 | 0.7407 | 0.7742 | 1.5679 | 1.5579 | 1.1175 | 1.4633 | 1.4602 | 1.3068 | 0.5167 | 1.4028 | 0.0555 | 0.3863 | 0.1931 | 0.0834 |
| serine | 0.2765 | 0.3003 | 0.4521 | 0.4149 | 0.1836 | 0.2466 | 1.3846 | 1.4827 | 0.9331 | 1.2870 | 1.3375 | 1.2135 | 1.1718 | 1.0701 | 1.2120 | 1.1495 | 1.1837 | 1.0620 |
| spermidine | 0.8977 | 0.9737 | 0.9164 | 0.8828 | 0.9104 | 0.9881 | 1.5011 | 1.4468 | 1.4738 | 1.4304 | 1.4884 | 1.5047 | 0.1411 | 0.2101 | 0.0774 | 0.1265 | 0.1057 | 0.0795 |
| taurine | 0.0454 | 0.0540 | 0.0946 | 0.1044 | 0.0254 | 0.0331 | 0.2855 | 0.3019 | 0.1661 | 0.2279 | 0.2317 | 0.2394 | 3.5885 | 3.9344 | 2.8648 | 3.7833 | 3.3171 | 2.6497 |
| thiamine | 0.1131 | 0.0926 | 0.0986 | 0.1162 | 0.1834 | 0.1534 | 1.8091 | 1.5862 | 1.4171 | 1.6977 | 2.3098 | 2.3912 | 0.0396 | 0.0239 | 0.4024 | 0.0501 | 0.0875 | 0.2174 |
| threonine | 0.2868 | 0.4351 | 0.4446 | 0.4206 | 0.4763 | 0.3068 | 1.3828 | 1.4156 | 1.0116 | 1.1895 | 1.2769 | 1.2364 | 1.0497 | 1.1364 | 0.8267 | 1.0174 | 0.8709 | 0.7445 |
| thymidine | 0.8719 | 0.5338 | 2.7275 | 0.5837 | 0.9791 | 0.7772 | 1.5400 | 1.0841 | 0.7157 | 0.6651 | 1.2960 | 0.6047 | NA | NA | NA | NA | NA | NA |
| trans-hydroxyproline | 0.1068 | 0.2085 | 0.0955 | 0.0935 | 0.1483 | 0.1553 | 1.2859 | 1.3037 | 1.1888 | 1.2450 | 1.3234 | 1.3093 | 0.7986 | 0.9359 | 2.0642 | 0.9253 | 1.7559 | 1.3998 |
| trans-hydroxyproline[13]C1[15]N1 | 0.5813 | NA | 0.2837 | 0.5446 | 0.3920 | 0.4522 | 1.5281 | 1.4753 | 0.9395 | 1.1604 | 1.3860 | 1.1612 | 0.7196 | 0.7657 | 1.2446 | 0.9302 | 0.7937 | 0.8761 |
| trans-hydroxyproline [13]C5 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| trans-hydroxyproline[15]N | 0.1499 | 0.2015 | 0.0956 | 0.1352 | 0.1501 | 0.1439 | 1.5500 | 1.5461 | 1.3216 | 1.3820 | 1.5726 | 1.5001 | 0.7429 | 0.7747 | 1.2736 | 0.7819 | 0.8873 | 0.9187 |
| trimethylamine-N-oxide | 0.8198 | 0.8268 | 0.9454 | 0.7859 | 0.8021 | 0.8555 | 0.7244 | 0.7245 | 0.7388 | 0.7173 | 0.6744 | 0.7202 | 1.9418 | 1.9605 | 1.4242 | 1.8743 | 1.7604 | 1.4041 |
| tryptophan | 0.1323 | 0.1913 | 0.1547 | 0.1572 | 0.1296 | 0.1207 | 1.0118 | 1.2133 | 0.8419 | 0.8788 | 1.0274 | 1.0334 | 1.7719 | 2.4686 | 1.8466 | 1.6633 | 1.7666 | 1.5840 |
| tyrosine | 0.1700 | 0.2409 | 0.1549 | 0.1778 | 0.1671 | 0.1594 | 1.4087 | 1.6920 | 1.1020 | 1.1074 | 1.3699 | 1.3253 | 1.1965 | 2.1865 | 0.8786 | 1.0476 | 0.8878 | 0.7223 |
| valine | 0.3152 | 0.4265 | 0.2863 | 0.3110 | 0.3701 | 0.3370 | 1.3820 | 1.6674 | 0.9546 | 1.2206 | 1.4254 | 1.4204 | 0.9446 | 1.4919 | 0.8030 | 0.9115 | 0.8938 | 0.7687 |
| valine-d8 | 1.0376 | 0.9965 | 1.0847 | 0.9689 | 0.9796 | 1.1001 | 0.9739 | 0.9698 | 1.0710 | 0.9895 | 1.0345 | 1.1015 | 0.9005 | 0.9657 | 0.9583 | 0.8927 | 0.9128 | 0.9223 |
| xanthosine | NA | NA | 2.8701 | NA | NA | NA | 0.6265 | 0.6607 | 1.8185 | 0.8632 | 0.9423 | 0.4940 | NA | NA | NA | NA | NA | NA |
Factors:
| F1 | Sample source:free parasites | Parasite_type:Saponin | Parasite_line:Dd2 | Timepoint:0.5 h |
| F2 | Sample source:free parasites | Parasite_type:Saponin | Parasite_line:Dd2 | Timepoint:0 h |
| F3 | Sample source:free parasites | Parasite_type:Saponin | Parasite_line:Dd2 | Timepoint:10 h |
| F4 | Sample source:free parasites | Parasite_type:Saponin | Parasite_line:Dd2 | Timepoint:1 h |
| F5 | Sample source:free parasites | Parasite_type:Saponin | Parasite_line:Dd2 | Timepoint:2 h |
| F6 | Sample source:free parasites | Parasite_type:Saponin | Parasite_line:Dd2 | Timepoint:6 h |
| F7 | Sample source:infected RBC (iRBC) | Parasite_type:iRBC | Parasite_line:Dd2 | Timepoint:0.5 h |
| F8 | Sample source:infected RBC (iRBC) | Parasite_type:iRBC | Parasite_line:Dd2 | Timepoint:0 h |
| F9 | Sample source:infected RBC (iRBC) | Parasite_type:iRBC | Parasite_line:Dd2 | Timepoint:10 h |
| F10 | Sample source:infected RBC (iRBC) | Parasite_type:iRBC | Parasite_line:Dd2 | Timepoint:1 h |
| F11 | Sample source:infected RBC (iRBC) | Parasite_type:iRBC | Parasite_line:Dd2 | Timepoint:2 h |
| F12 | Sample source:infected RBC (iRBC) | Parasite_type:iRBC | Parasite_line:Dd2 | Timepoint:6 h |
| F13 | Sample source:uninfected RBC (uRBC) | Parasite_type:uninfected RBCs | Parasite_line:Control RBCs | Timepoint:0.5 h |
| F14 | Sample source:uninfected RBC (uRBC) | Parasite_type:uninfected RBCs | Parasite_line:Control RBCs | Timepoint:0 h |
| F15 | Sample source:uninfected RBC (uRBC) | Parasite_type:uninfected RBCs | Parasite_line:Control RBCs | Timepoint:10 h |
| F16 | Sample source:uninfected RBC (uRBC) | Parasite_type:uninfected RBCs | Parasite_line:Control RBCs | Timepoint:1 h |
| F17 | Sample source:uninfected RBC (uRBC) | Parasite_type:uninfected RBCs | Parasite_line:Control RBCs | Timepoint:2 h |
| F18 | Sample source:uninfected RBC (uRBC) | Parasite_type:uninfected RBCs | Parasite_line:Control RBCs | Timepoint:6 h |
