Data for Multi-omics analysis demonstrates unique mode of action of a potent new antimalarial compound, JPC-3210, against Plasmodium falciparum (Study ST001175)
(Analysis AN001951)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 studyMetabolite | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 |
---|---|---|---|---|---|---|---|---|---|---|---|
13-14-DihydroPGF-1a | 1.0553 | 1.6444 | 1.5395 | 0.7008 | 0.6877 | 1.3295 | 1.8295 | 1.3074 | 0.4192 | 0.5472 | 0.8436 |
1,8-Diazacyclotetradecane-2,9-dione | 0.9255 | 1.1186 | 1.1126 | 0.9065 | 1.0995 | 0.8912 | 1.0656 | 1.0086 | 0.9946 | 1.5142 | 1.0136 |
1-(9H-Pyrido[3,4-b]indol-1-yl)-1,4-butanediol | 0.9198 | 1.2975 | 1.0185 | 1.0068 | 1.0559 | 0.6253 | 0.9436 | 0.8176 | 0.7935 | 1.1956 | 1.0266 |
(1R*,3R*,3^S*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid | 0.3530 | 1.1027 | 0.3330 | 0.2093 | 0.4496 | 0.2696 | 0.2884 | 0.2736 | 0.3089 | 4.9876 | 0.4792 |
1-thio-β-D-glucose | 0.8056 | 1.1014 | 0.9505 | 0.8599 | 0.9864 | 0.7506 | 0.8522 | 0.8262 | 0.8337 | 1.6388 | 0.9796 |
2,7-Anhydro-alpha-N-acetylneuraminic acid | 0.7940 | 1.1022 | 0.9811 | 0.9078 | 0.9996 | 0.7665 | 0.8564 | 0.8664 | 0.8329 | 1.5441 | 0.9856 |
2(alpha-D-Mannosyl)-D-glycerate | 0.7311 | 0.9549 | 0.8030 | 0.8149 | 0.8391 | 0.6538 | 0.7989 | 0.7375 | 0.6862 | 2.4026 | 0.8452 |
2-Benzothiazolesulfonamide | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 | NA |
2-C-Methyl-D-erythritol 4-phosphate | 1.0459 | 1.2162 | 1.1995 | 0.7926 | 0.9992 | 0.9197 | 1.0920 | 1.0291 | 0.7843 | 1.1583 | 0.6717 |
2-Decaprenyl-3-methyl-6-methoxy-1-4-benzoquinone | 0.8776 | 0.8525 | 0.7860 | 0.9121 | 0.9296 | 0.8427 | 0.9617 | 0.8732 | 1.1292 | 1.4113 | 1.2002 |
2-Dodecylbenzenesulfonic acid | 0.9858 | 1.0428 | 1.0960 | 1.0057 | 1.1883 | 0.9431 | 1.0619 | 1.2526 | 0.9318 | 1.3740 | 1.1576 |
2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestan | 0.8651 | 1.2476 | 1.1088 | 0.7935 | 0.9949 | 0.6503 | 1.0263 | 0.9933 | 0.7734 | 1.3657 | 0.9129 |
2-Hydroxy-2,4-pentadienoate | 1.2304 | 1.2508 | 1.2022 | 1.0247 | 1.1003 | 0.9785 | 1.2248 | 1.2055 | 1.0147 | 1.2030 | 0.9131 |
2-Hydroxy-6-keto-2,4-heptadienoate | 0.9755 | 1.1535 | 1.0419 | 0.9903 | 1.0110 | 0.9550 | 0.9642 | 1.1227 | 0.8320 | 1.2287 | 1.0418 |
2-Hydroxyethanesulfonate | 0.8357 | 1.1074 | 1.0486 | 1.0383 | 1.0466 | 0.8136 | 0.9022 | 0.9120 | 0.8967 | 1.1359 | 1.0916 |
2-Isopropylmaleate | 1.0146 | 1.0428 | 1.0060 | 0.9533 | 1.0738 | 0.8846 | 1.0733 | 0.9689 | 0.9720 | 1.3840 | 1.0727 |
2-Methyl-4-propyl-1,3-oxathiane | 0.9532 | 1.0198 | 1.0770 | 0.8512 | 1.0266 | 0.9499 | 1.0332 | 1.0036 | 0.8185 | 1.2858 | 0.8067 |
2-Octenedioicacid | 0.9786 | 1.1449 | 1.1087 | 1.0347 | 1.1094 | 0.8271 | 1.0359 | 1.1484 | 0.9673 | 1.1373 | 0.9401 |
2-Oxobutanoate | 1.2402 | 1.2731 | 1.2126 | 1.0520 | 1.0814 | 1.0429 | 1.2271 | 1.2127 | 1.0459 | 1.1105 | 0.9019 |
2-Oxoglutaramate | 0.7046 | 0.9846 | 1.1177 | 0.8921 | 1.0296 | 0.9133 | 0.9446 | 0.9205 | 0.7430 | 2.2896 | 0.9730 |
2-Oxoglutarate | 0.9949 | 1.4153 | 1.1573 | 0.8831 | 1.1205 | 0.7970 | 1.0592 | 0.9114 | 0.6847 | 1.7891 | 0.8746 |
3a-7b-12a-Trihydroxyoxocholanyl-Glycine | 0.9255 | 1.2969 | 1.1257 | 0.8344 | 0.9243 | 0.7333 | 1.0595 | 1.0523 | 0.7481 | 1.3805 | 0.8275 |
3-Amino-2-oxazolidone | 0.9741 | 1.1279 | 1.0772 | 1.0693 | 1.2002 | 0.9271 | 1.1191 | 1.1137 | 1.0680 | 1.3073 | 1.1108 |
3-beta-D-Galactosyl-sn-glycerol | 0.7995 | 1.1391 | 0.9776 | 0.9673 | 1.0263 | 0.8473 | 0.8448 | 0.9210 | 0.8672 | 1.3426 | 1.0185 |
3-Methylbutanoic acid | 1.0719 | 1.1215 | 1.1285 | 1.0463 | 1.1958 | 1.0214 | 1.1481 | 1.0776 | 1.1004 | 1.1677 | 1.1127 |
3-Methyldioxyindole | 1.0066 | 1.1278 | 1.0071 | 0.9035 | 1.2182 | 0.6689 | 0.9256 | 0.9134 | 0.9066 | 1.0214 | 1.0220 |
3-Oxododecanoic acid | 1.1312 | 1.1504 | 1.8939 | 1.1236 | 1.0007 | 1.4087 | 1.6663 | 1.6782 | 0.6018 | 0.4136 | 0.9590 |
3-Phospho-D-glycerate | 0.8490 | 1.2432 | 0.9981 | 0.6275 | 0.9503 | 0.8945 | 0.9834 | 0.8394 | 0.4927 | 2.0463 | 0.5231 |
4-Amino-4-deoxychorismate | 0.8703 | 1.1684 | 1.0750 | 0.9594 | 1.1130 | 0.6830 | 0.9271 | 0.8464 | 0.7894 | 1.2865 | 0.9360 |
4-Hydroxyphenylacetylglycine | 0.8951 | 1.3322 | 1.0976 | 0.7667 | 1.0340 | 0.9824 | 0.9783 | 0.8658 | 0.5954 | 1.4240 | 0.7270 |
5-Acetyl-2,4-dimethyloxazole | 0.8328 | 1.2031 | 0.9957 | 1.0755 | 1.1113 | 0.6621 | 0.8573 | 0.8121 | 0.7994 | 1.2594 | 1.0466 |
5-Methylthio-D-ribose | 0.9708 | 1.0922 | 0.9110 | 0.6154 | 0.8707 | 0.3805 | 0.8108 | 0.7836 | 0.6240 | 2.1559 | 1.0264 |
5-Oxoproline | 0.9358 | 1.3301 | 1.1218 | 0.8329 | 0.9943 | 0.7963 | 1.0847 | 0.9277 | 0.8229 | 2.1299 | 0.8850 |
7E,9E,11-Dodecatrienyl acetate | 1.0843 | 1.0323 | 1.0847 | 0.9979 | 1.0482 | 0.9935 | 1.0575 | 1.0305 | 1.0277 | 0.9504 | 0.8695 |
9-Oxononanoic acid | 0.9810 | 1.1099 | 1.0549 | 0.9860 | 1.0809 | 0.8635 | 0.9880 | 1.1205 | 0.8447 | 1.0856 | 0.9847 |
Ala-Asp | 0.7661 | 1.1837 | 0.8769 | 0.7801 | 0.9379 | 0.6730 | 0.8506 | 0.7745 | 0.6624 | 2.0896 | 0.7686 |
Ala-Leu-Trp-Ser | 0.3266 | 1.2486 | 0.9594 | NA | 1.2284 | NA | 0.8431 | NA | 0.1498 | 1.1278 | 1.1193 |
Ala-Met-Asp-Tyr | 1.2922 | 1.1330 | 1.3230 | 0.9841 | 1.1413 | 1.0064 | 1.1501 | 1.2665 | 0.8835 | 0.2180 | 0.9550 |
alpha,alpha^-Diethyl-4,4^-bis(2-propynyloxy)stilbene | 0.7608 | 1.0456 | 0.8990 | 0.9815 | 1.1659 | 0.8845 | 0.8605 | 0.9429 | 1.0751 | 1.1868 | 0.9362 |
alpha-Irone | 0.9957 | 1.0147 | 0.9669 | 1.0696 | 0.9952 | 0.9184 | 1.0119 | 1.0803 | 1.0468 | 1.0495 | 1.1160 |
AMCC | 0.8461 | 1.3371 | 1.2079 | 0.9715 | 1.0666 | 0.6573 | 0.8721 | 0.8486 | 0.7368 | 1.2778 | 0.8658 |
Arecoline | 1.0389 | 1.0773 | 1.0712 | 0.9797 | 1.0550 | 0.9737 | 1.0341 | 0.9996 | 0.9714 | 1.0861 | 1.0143 |
Arg-Lys-Pro-His | 1.0675 | 1.0287 | 1.1882 | 1.0270 | 0.9823 | 1.0135 | 1.0874 | 1.0455 | 0.7962 | 1.0298 | 0.9215 |
Asp-Gly | 0.8137 | 1.2347 | 0.8910 | 0.5785 | 0.8715 | 0.5380 | 0.9340 | 0.6763 | 0.6237 | 2.6518 | 0.7196 |
Atovaquone | NA | 2.1930 | NA | NA | NA | NA | NA | NA | NA | 0.2047 | NA |
Benzyl sulfate | 1.0842 | 1.1616 | 1.1540 | 0.9178 | 0.9662 | 0.9712 | 1.0382 | 1.0627 | 0.7936 | 1.0482 | 0.8121 |
Bile salt | 0.9527 | 1.1331 | 1.1114 | 0.8242 | 0.9820 | 0.7022 | 1.0899 | 0.9177 | 0.7674 | 1.3205 | 0.9572 |
Caffeic acid 4-O-glucuronide | 1.1774 | 1.4904 | 1.1601 | 0.8044 | 1.0478 | 0.6167 | 0.7327 | 0.7297 | 0.4443 | 1.6762 | 0.8406 |
CDP-ethanolamine | 0.7442 | 0.9004 | 1.0197 | 0.9450 | 0.9603 | 0.6740 | 0.8272 | 0.8317 | 0.7867 | 1.8373 | 0.9613 |
Cer(d36:1) | 0.7667 | 1.1344 | 0.8201 | 1.1176 | 0.9960 | 0.6752 | 1.0343 | 0.9728 | 1.3203 | 0.8503 | 1.3357 |
Chenodeoxyglycocholate | 1.0034 | 1.1772 | 1.1043 | 0.8050 | 0.9691 | 0.8214 | 1.1220 | 0.9950 | 0.7983 | 1.2448 | 0.8756 |
cis-Aconitate | 1.1104 | 1.2575 | 1.3370 | 1.0170 | 1.0889 | 0.9300 | 1.0845 | 1.1125 | 0.9514 | 1.3095 | 1.0030 |
Citrate | 1.5912 | 1.1828 | 1.4010 | 0.7467 | 0.8988 | 1.4280 | 1.3843 | 1.2238 | 0.9596 | 1.0047 | 0.7601 |
Clavulanic acid | 0.6747 | 1.2667 | 1.0707 | 1.2008 | 1.0887 | 0.5363 | 0.9730 | 0.9509 | 0.8591 | 1.0109 | 1.1680 |
CMP-2-aminoethylphosphonate | 0.6883 | 0.9460 | 0.8158 | 0.7586 | 0.9163 | 0.6852 | 0.6982 | 0.7939 | 0.7065 | 2.4092 | 0.8101 |
D-4^-Phosphopantothenate | 0.7814 | 0.9538 | 0.9238 | 0.7963 | 1.0039 | 0.6880 | 0.8668 | 0.8305 | 0.7722 | 1.9071 | 0.8992 |
D-Arabinonate | 0.9056 | 1.2376 | 1.1523 | 1.0701 | 1.1636 | 0.9175 | 1.0036 | 1.0074 | 1.0285 | 1.4062 | 1.1009 |
Deamino-NAD+ | 0.8465 | 1.2538 | 1.1156 | 0.8510 | 0.9869 | 0.8861 | 0.9393 | 0.9716 | 0.8822 | 1.2231 | 0.9065 |
D-Fructose | 1.1367 | 1.2183 | 1.2375 | 1.1792 | 1.2116 | 0.9640 | 1.1821 | 1.1514 | 1.1202 | 0.8326 | 1.2082 |
D-Fructose 1,6-bisphosphate | 1.1303 | 1.5144 | 1.2953 | 0.8172 | 1.1500 | 1.0963 | 1.1385 | 1.0470 | 0.5567 | 1.3006 | 0.6690 |
D-Galacturonate | 0.5743 | 1.0321 | 0.7343 | 0.6136 | 0.7874 | 0.5747 | 0.6033 | 0.6350 | 0.5928 | 3.0696 | 0.7099 |
D-Gluconic acid | 0.8956 | 1.3483 | 1.1463 | 1.0430 | 1.1751 | 0.8884 | 0.9729 | 0.9813 | 0.9674 | 1.5373 | 1.1089 |
D-Glucono-1,5-lactone | 0.8544 | 1.2282 | 1.0994 | 1.0250 | 1.1276 | 0.8582 | 0.9631 | 0.9472 | 0.9447 | 1.6527 | 1.0742 |
D-Glucose 6-phosphate | 0.8430 | 1.0803 | 1.0390 | 0.8963 | 0.9452 | 0.7508 | 0.8778 | 0.8988 | 0.7659 | 1.6421 | 0.8932 |
D-glycero-L-galacto-Octulose | 0.9013 | 1.0791 | 0.9967 | 1.0390 | 1.0881 | 0.8608 | 0.9042 | 0.9640 | 0.9470 | 1.0191 | 1.0814 |
Dihydro-4,4-dimethyl-2,3-Furandione | 1.5177 | 1.1044 | 1.4099 | 1.1258 | 0.6877 | 0.7048 | 0.4378 | 0.8858 | NA | 1.9544 | 0.2028 |
dihydrogeranylgeranyl-bacteriopheophytin | 0.8126 | 0.9620 | 1.0656 | 1.0199 | 1.0463 | 0.8219 | 0.9076 | 0.8994 | 0.9840 | 1.2396 | 1.0166 |
D-Mannitol 1-phosphate | 0.7074 | 0.8730 | 0.8237 | 0.7384 | 0.8533 | 0.6875 | 0.7448 | 0.7356 | 0.6603 | 2.6186 | 0.7139 |
Docosahexaenoicacid | 1.0215 | 1.1266 | 1.0259 | 0.8921 | 1.0346 | 0.7658 | 1.1751 | 1.1144 | 0.8950 | 1.3039 | 0.6529 |
D-Ribose | 0.8538 | 1.3073 | 1.0987 | 1.0493 | 1.1258 | 0.9252 | 0.9634 | 0.9973 | 0.9874 | 1.5828 | 1.1427 |
D-Ribose 5-phosphate | 0.6977 | 0.9639 | 0.8766 | 0.7163 | 0.8560 | 0.6876 | 0.7014 | 0.7266 | 0.6055 | 2.5672 | 0.7794 |
D-Sedoheptulose 7-phosphate | 0.8640 | 0.8612 | 1.0308 | 0.8623 | 0.7705 | 0.6144 | 0.8540 | 0.8124 | 0.7043 | 2.1772 | 0.8891 |
FA(16:0) | 1.0652 | 1.2371 | 1.1131 | 1.1211 | 1.0263 | 1.0582 | 1.1049 | 1.1429 | 0.8418 | 1.3371 | 0.8053 |
FA(16:1) | 1.0973 | 1.3705 | 1.2404 | 0.9722 | 0.9968 | 1.0320 | 1.1716 | 1.1974 | 0.8902 | 1.4019 | 0.8080 |
FA (17:0) | 1.0234 | 1.3050 | 1.1248 | 1.1580 | 0.9605 | 0.9653 | 1.0725 | 1.1275 | 0.8911 | 1.4774 | 0.9434 |
[FA (18:1)] 9Z-octadecenoic acid | 1.1418 | 1.3494 | 1.2134 | 0.9898 | 1.0721 | 0.8889 | 1.1890 | 1.1152 | 0.9114 | 1.4130 | 0.9232 |
[FA (18:3)] 9Z,12Z,15Z-octadecatrienoic acid | 1.1528 | 1.2999 | 1.1757 | 0.8837 | 0.9899 | 0.8838 | 1.1812 | 1.0311 | 0.8300 | 1.3552 | 0.7645 |
FA (20:0) | 1.0996 | 1.3924 | 1.2527 | 0.9851 | 1.0453 | 1.0048 | 1.1593 | 1.0912 | 0.8510 | 1.4275 | 0.8977 |
FA (20:4) | 1.1314 | 1.1914 | 1.0208 | 0.8688 | 1.0289 | 0.8445 | 1.0335 | 1.0739 | 0.8835 | 1.1891 | 0.8144 |
[FA (22:5)] 7Z,10Z,13Z,16Z,19Z-docosapentaenoic acid | 1.1080 | 1.1684 | 1.0885 | 0.8614 | 1.0008 | 0.8305 | 1.0894 | 0.9879 | 0.9216 | 1.1961 | 0.8445 |
[FA (6:0)] hexanal | 1.0557 | 0.9423 | 1.7012 | 0.9890 | 0.8896 | 1.2026 | 1.4378 | 1.4532 | 0.6270 | 0.4180 | 0.8214 |
FA (8:0) octanoic acid | 0.9372 | 0.9958 | 1.1179 | 0.9567 | 1.0118 | 0.8487 | 1.0403 | 1.1039 | 0.8867 | 1.2387 | 0.9511 |
FA (8:1) | 0.9895 | 1.2926 | 1.4735 | 0.7919 | 1.0846 | 0.6297 | 0.7333 | 0.9502 | 0.5951 | 2.0617 | 0.7500 |
FA (8:1) octenal | 1.1445 | 0.9933 | 1.6118 | 1.1645 | 0.9356 | 1.1208 | 1.3672 | 1.5587 | 0.6757 | 0.4737 | 0.9342 |
FA hydroxy(18:0) | 1.0192 | 1.2394 | 1.1848 | 1.0215 | 1.1242 | 0.9361 | 0.9848 | 1.0528 | 0.9075 | 1.2745 | 1.0259 |
FA hydroxy(18:1)] | 1.0755 | 1.1523 | 1.5708 | 0.9426 | 0.9583 | 1.3566 | 1.4724 | 1.3658 | 0.6756 | 0.7838 | 0.8517 |
FA hydroxy(7:0) | 1.2435 | 1.0383 | 1.6082 | 1.0549 | 0.8931 | 0.7913 | 1.1503 | 1.2211 | 0.7385 | 1.2947 | 0.7959 |
FA hydroxy(8:0) hydroxy-octanoic acid | 1.1567 | 1.0423 | 1.2904 | 0.8464 | 1.1190 | 0.7948 | 0.9793 | 1.0168 | 1.0443 | 1.2348 | 0.9865 |
FA hydroxy(9:0) hydroxy-nonanoic acid | 1.0422 | 0.8356 | 1.0950 | 0.8564 | 0.6388 | 0.9119 | 1.1658 | 2.1045 | 0.6373 | 1.6233 | 0.7879 |
FA methyl(14:0) | 1.0525 | 1.1957 | 1.1178 | 0.9993 | 0.9482 | 1.0060 | 1.0352 | 1.0877 | 0.8141 | 1.3421 | 0.8065 |
FA methyl(14:0) dodecanedioic acid | 1.6726 | 0.6893 | 0.8242 | NA | 1.0069 | NA | 0.3758 | 1.6410 | 0.8038 | 1.4750 | 0.3782 |
FA methyl(15:0) tridecanedioic acid | 0.9844 | 1.0270 | 1.9062 | 0.7510 | 0.7757 | 1.6825 | 1.8177 | 1.7166 | 0.4074 | 0.5751 | 0.8275 |
FA methyl(16:1) | 1.0721 | 1.4261 | 1.2031 | 1.0322 | 1.0315 | 0.8888 | 1.1988 | 1.1252 | 0.8446 | 1.5060 | 0.8021 |
FA methyl(18:0) | 1.0910 | 1.1355 | 1.1392 | 1.0683 | 1.0406 | 0.9310 | 1.1015 | 1.1140 | 0.9678 | 1.3998 | 0.9967 |
FA methyl(6:0) | 0.8733 | 1.1513 | 1.1614 | 0.9541 | 1.0557 | 0.8187 | 0.9189 | 0.9938 | 0.7811 | 1.6337 | 0.9133 |
FA oxo(16:0) | 1.0647 | 1.0458 | 1.4137 | 1.0769 | 1.0747 | 1.1127 | 1.2466 | 1.3134 | 0.7349 | 0.8772 | 0.9324 |
FA oxo(18:0) | 1.0336 | 1.1210 | 1.1784 | 0.9824 | 1.0855 | 0.9206 | 1.1221 | 1.0331 | 0.8754 | 1.4397 | 0.9022 |
FA oxo(7:0) | 0.9154 | 1.0680 | 1.1409 | 0.9427 | 1.0683 | 0.8006 | 0.9999 | 0.9667 | 0.9185 | 1.8168 | 0.8900 |
FA oxo(8:0) oxo-octanoic acid | 0.9927 | 0.9860 | 1.1160 | 0.9593 | 1.0423 | 0.9838 | 1.0412 | 0.9187 | 1.0348 | 1.0444 | 1.1065 |
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic acid | 0.8875 | 1.2953 | 1.1750 | 1.0598 | 1.1880 | 0.9240 | 0.9845 | 1.0321 | 0.9596 | 1.4447 | 1.1394 |
Furfural diethyl acetal | 1.0673 | 1.5872 | 1.6925 | 0.7691 | 1.0218 | 0.6063 | 0.6051 | 0.6296 | 0.2382 | 2.5897 | 0.2831 |
Galactinoldihydrate | 0.6282 | 1.3540 | 0.9748 | 0.8486 | 1.0138 | 0.5985 | 0.7615 | 0.6910 | 0.7357 | 2.0129 | 0.9399 |
Glycerophosphoglycerol | 0.8328 | 1.1189 | 0.9930 | 0.9664 | 0.9869 | 0.8089 | 0.8698 | 0.9102 | 0.8305 | 1.4109 | 1.0058 |
HEPES | 1.1560 | 1.3520 | 1.2904 | 0.9037 | 1.0792 | 0.9309 | 1.2004 | 1.1149 | 0.9019 | 1.4347 | 0.8700 |
Hexanoic acid | 0.8370 | 1.5508 | 1.4629 | 0.8063 | 1.2939 | 0.7373 | 0.7897 | 0.9018 | 0.4633 | 1.9880 | 0.5567 |
Hydroxymethylphosphonate | 0.7598 | 1.1914 | 1.1119 | 0.9363 | 1.1613 | 0.6433 | 0.8364 | 0.8095 | 0.7009 | 1.4175 | 0.9653 |
Icosatrienoic acid | 0.9984 | 1.1329 | 1.0269 | 0.8907 | 0.9601 | 0.8067 | 1.0974 | 0.9814 | 0.8433 | 1.2291 | 0.8954 |
Ile-Ala-Ser | 1.0355 | 1.1671 | 1.0899 | 0.9790 | 1.0678 | 1.0594 | 1.0791 | 1.0298 | 0.9806 | 1.4417 | 0.9608 |
Ile-Lys-Gln-Tyr | 1.1076 | 1.0738 | 1.0626 | 1.0365 | 1.1157 | 1.0354 | 0.7865 | 0.9712 | 1.0347 | 1.0634 | 1.0506 |
IMP | 0.7388 | 0.9770 | 0.9331 | 0.8358 | 0.9069 | 0.6925 | 0.7667 | 0.8162 | 0.7749 | 2.1209 | 0.8238 |
Indole-3-acetaldehyde | 0.7257 | 1.3037 | 1.0976 | 0.5800 | 1.0679 | 0.4888 | 0.6675 | 0.9155 | NA | 1.9626 | 0.2462 |
(-)-Jasmonic acid | 0.8073 | 1.2222 | 1.3334 | 1.2480 | 0.8033 | 0.5078 | 0.6337 | 0.7446 | NA | 1.6227 | 0.0714 |
Kinobscurinone | 0.8542 | 1.0968 | 1.1339 | 0.9186 | 1.0561 | 0.8436 | 1.0427 | 0.9386 | 0.8542 | 1.1622 | 0.9213 |
L-Aspartate | 0.7341 | 1.0352 | 0.7856 | 0.6351 | 0.8168 | 0.5930 | 0.6845 | 0.6640 | 0.6882 | 3.7000 | 0.7604 |
L-Cladinose | 1.0061 | 0.9686 | 1.1476 | 0.7761 | 0.7600 | 0.7846 | 1.0792 | 1.3475 | 0.6484 | 1.8092 | 0.8759 |
L-Histidine | 1.0826 | 1.4237 | 1.3235 | 0.9082 | 1.1848 | 0.8623 | 1.0755 | 0.9806 | 0.9222 | 1.3627 | 1.0066 |
Linoleate | 1.1758 | 1.3399 | 1.2592 | 0.9673 | 1.0777 | 0.9647 | 1.1783 | 1.1277 | 0.8944 | 1.3557 | 0.8436 |
L-Rhamnono-1,4-lactone | 0.6752 | 3.1309 | 1.2987 | 2.1274 | 0.7920 | 0.4398 | 0.4264 | 0.5756 | 0.9047 | 0.5187 | 0.6981 |
LysoPE(18:0) | 0.9182 | 1.2119 | 1.1695 | 0.8169 | 1.0893 | 0.7682 | 0.8270 | 1.0444 | 0.7142 | 1.6030 | 0.8021 |
LysoPE(18:2) | 0.8120 | 1.1936 | 1.1507 | 0.7705 | 1.0734 | 0.7361 | 0.8177 | 1.0240 | 0.7090 | 1.7409 | 0.6717 |
LysoPE(22:4) | 0.8427 | 1.2677 | 1.4112 | 0.7071 | 1.0519 | 0.6189 | 0.6860 | 0.8312 | 0.4039 | 2.1552 | 0.5590 |
Mannitol | 1.0165 | 1.2192 | 1.1520 | 1.1307 | 1.1802 | 0.9869 | 1.0425 | 1.0836 | 1.0491 | 1.2362 | 1.1509 |
Margaroyl-EA | 0.7344 | 1.0784 | 0.6825 | 1.0565 | 0.9589 | 0.6849 | 1.0388 | 0.7645 | 1.6475 | 0.9496 | 1.3517 |
mercuriphenyl acetate | 0.2153 | 0.4930 | 0.2347 | 0.1545 | 0.2578 | 0.1557 | 0.2606 | 0.1922 | 0.2729 | 5.7939 | 0.1564 |
meso-Tartaric acid | 0.9703 | 0.9940 | 1.0314 | 0.9766 | 0.9714 | 0.9805 | 0.9831 | 0.9970 | 0.9792 | 1.2381 | 0.9816 |
Met-Cys-Cys | 0.7173 | 1.1533 | 0.8737 | 1.0662 | 1.1101 | 0.6380 | 0.7234 | 0.7898 | 0.8963 | 1.4000 | 1.2061 |
Met-Ser | 1.1290 | 1.2095 | 1.1361 | 1.1170 | 1.1239 | 0.9009 | 1.0648 | 1.2667 | 1.0061 | 0.3593 | 0.9558 |
Miraxanthin-I | 0.2321 | 0.2984 | NA | NA | 0.1078 | NA | NA | NA | NA | 1.3936 | NA |
Monoglyceride citrate | 0.7808 | 1.0561 | 0.8690 | 0.6287 | 0.8209 | 0.6169 | 0.9645 | 0.7029 | 0.8052 | 2.2129 | 0.9000 |
N-Acetyl-D-fucosamine | 0.7329 | 1.0853 | 0.9618 | 0.8870 | 1.0186 | 0.7229 | 0.8793 | 0.8031 | 0.8831 | 1.6154 | 0.9706 |
N-Acetyl-D-glucosaminate | 0.8260 | 1.0796 | 0.9717 | 1.0319 | 1.0367 | 0.7776 | 0.9609 | 0.9172 | 0.8979 | 1.2118 | 1.0789 |
N-Acetyl-D-glucosamine 6-phosphate | 0.6308 | 1.1690 | 0.8506 | 0.7435 | 0.9619 | 0.7139 | 0.7561 | 0.6905 | 0.7920 | 2.1453 | 0.8533 |
N-Acetyl-D-mannosaminolactone | 0.7975 | 1.5514 | 1.0835 | 0.8005 | 1.2100 | 0.7300 | 0.9597 | 0.7850 | 0.7774 | 1.1212 | 0.8445 |
N-Carbamoyl-L-aspartate | 0.1157 | 7.3980 | 0.1550 | 0.1041 | 0.1595 | 0.1111 | 0.1293 | 0.1144 | 0.0924 | 2.1353 | 0.1045 |
N-Nitrosoproline | 0.9103 | 0.7855 | 0.9274 | 0.8737 | 0.9175 | 0.9999 | 1.1054 | 1.0848 | 1.1394 | 1.1606 | 1.0981 |
N-Nonanoylglycine | 1.0474 | 1.0735 | 1.0099 | 0.9923 | 0.9953 | 0.8125 | 1.0010 | 1.0980 | 0.9346 | 1.2790 | 1.0571 |
N-Succinyl-L-glutamate | 0.7452 | 0.9995 | 1.0556 | 0.7938 | 1.0022 | 0.9377 | 0.9009 | 0.9881 | 0.7338 | 1.6647 | 0.8260 |
N-Undecylbenzenesulfonic acid | 0.9843 | 1.1162 | 1.1429 | 1.0132 | 1.2130 | 0.8782 | 1.0237 | 1.2284 | 0.8956 | 1.3922 | 1.0839 |
Octadecanoic acid | 1.0252 | 1.2521 | 1.1416 | 1.1140 | 1.0708 | 0.9921 | 1.1159 | 1.1036 | 0.8918 | 1.4178 | 0.9095 |
Orotidine | 0.8592 | 1.0936 | 1.0148 | 0.9738 | 1.0651 | 0.8090 | 0.8875 | 0.9309 | 0.8623 | 1.2250 | 1.0525 |
Orthophosphate | 1.0922 | 1.0785 | 1.1305 | 1.0148 | 1.0786 | 1.0945 | 1.0828 | 1.1090 | 0.9705 | 1.2378 | 0.9608 |
PA(34:1) | 0.8119 | 0.9157 | 0.9677 | 1.0029 | 1.0693 | 0.7015 | 0.8276 | 0.9128 | 0.9211 | 1.4446 | 1.0543 |
PA(34:2) | 0.7886 | 0.9769 | 0.9907 | 1.0281 | 1.0374 | 0.7200 | 0.8461 | 0.8749 | 0.9146 | 1.4223 | 1.0598 |
PA(36:2) | 0.7515 | 0.9101 | 0.9963 | 1.0170 | 1.0611 | 0.7020 | 0.8187 | 0.8754 | 0.9530 | 1.4281 | 1.1212 |
PA(36:3) | 0.7836 | 0.9690 | 0.9813 | 0.9736 | 1.1122 | 0.7507 | 0.7436 | 0.8862 | 0.9783 | 1.4018 | 1.0437 |
PA(36:4) | 0.8508 | 1.0141 | 1.0008 | 1.1129 | 1.1686 | 0.8766 | 0.9231 | 1.0018 | 1.0555 | 1.4235 | 1.1693 |
PA(O-38:5) | 0.7683 | 0.9345 | 0.9691 | 1.0429 | 1.0214 | 0.7629 | 0.8331 | 0.9501 | 0.9232 | 1.4024 | 1.1029 |
para-Trifluoromethylphenol | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.4023 | 1.8965 |
[PC acetyl(18:2)] 1-(9Z,12Z-octadecadienoyl)-2-acetyl-sn-glycero-3-phosphocholine | 0.8749 | 1.1595 | 1.1700 | 0.7963 | 0.8917 | 0.5345 | 0.6156 | 0.7096 | NA | 1.3813 | NA |
P-DPD | 0.8626 | 1.1230 | 1.0491 | 1.0261 | 1.0293 | 0.7720 | 0.8938 | 0.9700 | 0.8602 | 1.2095 | 1.0133 |
PE(30:4) | 2.3194 | 1.1123 | 0.9545 | 0.8673 | 0.8626 | 1.1093 | 1.1918 | 0.7327 | 1.2285 | 0.6993 | 1.1242 |
PE(34:2) | 0.9929 | 1.0953 | 0.9663 | 0.9230 | 1.1032 | 0.9266 | 0.9771 | 1.0207 | 1.0317 | 0.8367 | 1.1174 |
PE(36:1) | 0.9593 | 0.8815 | 0.9452 | 1.0147 | 1.0329 | 0.9929 | 0.9405 | 1.0810 | 1.0311 | 1.0704 | 1.0092 |
PE(36:2) | 1.0210 | 0.9809 | 1.0667 | 1.0012 | 1.0146 | 1.0231 | 0.9897 | 0.9984 | 1.0438 | 0.8896 | 1.0207 |
PE(38:4) | 1.0133 | 0.9261 | 0.9943 | 1.0196 | 1.0051 | 0.9922 | 1.0054 | 1.0245 | 1.0671 | 1.1008 | 1.0486 |
PE(38:5) | 0.9711 | 0.9902 | 0.9938 | 0.9958 | 1.0227 | 0.9506 | 0.9899 | 0.9873 | 1.0553 | 1.1120 | 1.0915 |
[PG (16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1^-sn-glycerol) | 0.8780 | 1.0063 | 0.9967 | 0.9150 | 0.9914 | 0.9172 | 0.8365 | 0.9257 | 0.7539 | 1.5157 | 0.9729 |
[PG (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1^-sn-glycerol) | 0.8350 | 1.0379 | 0.9832 | 0.8901 | 0.9908 | 0.8332 | 0.8692 | 0.9527 | 0.8075 | 1.5190 | 0.9753 |
[PG (18:1)] 1-(9E-octadecenoyl)-sn-glycero-3-phospho-(1^-sn-glycerol) | 0.8918 | 1.0045 | 1.0705 | 0.9935 | 1.0392 | 0.9078 | 0.8950 | 1.0058 | 0.9119 | 1.4488 | 1.0289 |
PG(34:1) | 0.8368 | 1.0577 | 1.0099 | 0.8796 | 1.0131 | 0.7185 | 0.8657 | 0.8856 | 0.8450 | 1.4816 | 1.0571 |
PG(36:1) | 0.8232 | 1.0081 | 1.0239 | 0.8956 | 1.0100 | 0.7146 | 0.8645 | 0.8984 | 0.8768 | 1.4950 | 1.0381 |
PG(36:2) | 0.8071 | 1.0306 | 0.9937 | 0.9048 | 1.0137 | 0.7340 | 0.8615 | 0.9382 | 0.8827 | 1.4573 | 1.0555 |
PG(38:5) | 0.8248 | 1.0656 | 0.9978 | 0.9524 | 0.9820 | 0.8085 | 0.8586 | 0.9974 | 0.9524 | 1.2864 | 1.0958 |
PG(40:5) | 0.8969 | 1.0244 | 0.9126 | 0.9266 | 1.0060 | 0.7808 | 0.8521 | 0.9815 | 0.9174 | 1.4187 | 1.0099 |
Phosphoenolpyruvate | 0.8247 | 1.3460 | 0.9801 | 0.7820 | 1.0351 | 0.9140 | 0.9247 | 0.8912 | 0.6684 | 1.5715 | 0.7014 |
Phytuberin | 1.1521 | 0.8538 | 1.6247 | 0.9783 | 0.8808 | 0.9496 | 0.9648 | 1.1818 | 0.8953 | 1.4145 | 0.8893 |
PI(36:2) | 0.8773 | 0.8693 | 1.0044 | 1.0507 | 1.0636 | 0.8519 | 0.8811 | 0.9231 | 0.8744 | 1.3262 | 1.0110 |
PI(36:3) | 1.0026 | 0.8872 | 1.0485 | 1.1810 | 1.0334 | 0.8942 | 0.9604 | 1.0290 | 0.9790 | 0.9338 | 1.0398 |
PI(36:4) | 0.9833 | 0.9456 | 1.1394 | 1.1739 | 1.0710 | 0.9056 | 0.9334 | 1.0568 | 1.0187 | 0.8155 | 0.9865 |
PI(40:5) | 0.8745 | 0.8706 | 0.9270 | 1.1111 | 1.0303 | 0.8687 | 0.8886 | 1.0179 | 0.9368 | 1.2350 | 1.0709 |
[PR] Abietic acid | 1.0133 | 1.1647 | 0.9552 | 0.8473 | 0.8608 | 1.1705 | 1.0134 | 0.9112 | 0.8038 | 1.1567 | 1.3913 |
PS(18:0) | 0.9698 | 1.3769 | 1.3185 | 0.7391 | 1.0642 | 0.7717 | 0.8450 | 0.8437 | 0.5977 | 1.7126 | 0.6452 |
[PS(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine | 0.9164 | 1.1607 | 1.1320 | 0.7282 | 1.0559 | 0.8990 | 0.8760 | 0.8908 | 0.8085 | 1.3756 | 0.9687 |
PS(36:1) | 0.8600 | 0.9063 | 1.0467 | 0.9541 | 1.0491 | 0.7847 | 0.8731 | 0.9154 | 0.9406 | 1.3599 | 1.0184 |
PS(36:2) | 0.8453 | 0.9784 | 1.0663 | 0.9712 | 1.0442 | 0.7983 | 0.8828 | 0.8596 | 0.8824 | 1.3845 | 0.9759 |
PS(36:3) | 0.8467 | 0.9716 | 0.9363 | 0.9912 | 1.0790 | 0.7772 | 0.9239 | 0.8479 | 0.9172 | 1.3608 | 1.0148 |
PS(36:4) | 0.9097 | 1.0160 | 1.0116 | 1.0068 | 1.0319 | 0.7922 | 0.9436 | 0.9210 | 0.9117 | 1.2130 | 1.0403 |
PS(38:4) | 0.8568 | 0.9451 | 0.9987 | 0.9950 | 1.0182 | 0.8291 | 0.8964 | 0.9119 | 0.9312 | 1.3141 | 1.0680 |
PS(38:5) | 0.8914 | 0.9610 | 0.9992 | 1.0646 | 1.0061 | 0.8489 | 0.9211 | 0.9140 | 0.9266 | 1.2539 | 1.0224 |
PS(38:6) | 0.8964 | 0.9358 | 1.0236 | 0.9365 | 1.0637 | 0.7868 | 0.9729 | 0.9016 | 0.9021 | 1.2258 | 1.1161 |
PS(40:4) | 0.8461 | 0.9147 | 1.0063 | 0.9752 | 1.0468 | 0.8176 | 0.8744 | 0.9311 | 0.9462 | 1.2989 | 1.0953 |
PS(40:5) | 0.8444 | 0.9357 | 1.0100 | 0.9890 | 1.0268 | 0.8097 | 0.9143 | 0.9193 | 0.9537 | 1.2977 | 1.0628 |
Pyrophosphate | 0.3454 | 0.4205 | 0.3526 | 0.2593 | 0.3268 | 0.3567 | 0.3224 | 0.3236 | 0.2441 | 5.6506 | 0.2477 |
Pyruvate | 1.0736 | 1.0632 | 1.2315 | 1.0259 | 1.0433 | 0.9650 | 0.9964 | 1.0808 | 0.8325 | 1.0684 | 1.0554 |
Quinate | 0.9529 | 1.2652 | 1.1639 | 1.1100 | 1.1738 | 0.9137 | 1.0036 | 1.0151 | 0.9645 | 1.3781 | 1.1713 |
(R)-2-Hydroxyglutarate | 0.7546 | 1.0406 | 0.8875 | 0.8680 | 0.9279 | 0.7199 | 0.7792 | 0.8107 | 0.7498 | 3.0013 | 0.8658 |
(S)-2-Acetolactate | 1.1845 | 1.2996 | 1.1570 | 1.0097 | 1.0731 | 0.9832 | 1.2164 | 1.1475 | 1.0182 | 1.1898 | 0.8910 |
(S)-3-Methyl-2-oxopentanoic acid | 0.9574 | 1.1760 | 1.2168 | 0.8372 | 1.1771 | 0.7963 | 0.8324 | 0.8602 | 0.6181 | 1.8826 | 0.7470 |
Sambutoxin | 0.8932 | 1.1903 | 1.1708 | 0.8054 | 1.0815 | 0.7000 | 0.7904 | 0.9168 | 0.7170 | 1.6594 | 0.7535 |
(S)-Dihydroorotate | 0.1876 | 7.1223 | 0.2598 | 0.2179 | 0.2274 | 0.1715 | 0.2109 | 0.2089 | 0.2246 | 1.7441 | 0.2275 |
Secobarbital | 0.9783 | 1.0328 | 0.9773 | 1.0104 | 1.0155 | 1.0095 | 1.0444 | 0.9773 | 0.9971 | 1.2797 | 1.0350 |
(S)-Lactate | 1.0709 | 1.3098 | 1.3084 | 1.0145 | 1.1641 | 0.8624 | 1.0414 | 1.0503 | 0.8857 | 1.3608 | 1.1031 |
(S)-Malate | 1.0226 | 1.3619 | 1.1522 | 0.8157 | 1.1969 | 0.8728 | 1.1064 | 0.9399 | 0.8879 | 1.6481 | 0.9434 |
sn-glycero-3-Phosphoethanolamine | 0.7858 | 1.0549 | 0.8384 | 0.9046 | 0.9723 | 0.6559 | 0.8001 | 0.7631 | 0.8343 | 2.0610 | 0.9117 |
sn-Glycerol 3-phosphate | 0.6520 | 1.2926 | 0.9472 | 0.7126 | 0.9269 | 0.7151 | 0.7736 | 0.7698 | 0.6161 | 2.4398 | 0.8490 |
sodium dodecyl sulfate | 0.9803 | 0.9080 | 1.5068 | 0.8829 | 1.0134 | 1.4426 | 0.7779 | 1.0703 | 0.7763 | 1.0933 | 1.0649 |
[SP] Sphinganine-1-phosphate | 0.7706 | 1.0358 | 0.9472 | 1.0201 | 1.0327 | 0.8363 | 0.9023 | 0.9594 | 0.8707 | 1.3440 | 1.0335 |
Sulfate | 0.3592 | 0.4141 | 0.3448 | 0.3279 | 0.3628 | 0.4012 | 0.3530 | 0.3649 | 0.3336 | 5.1651 | 0.3430 |
Taurine | 0.7651 | 0.9994 | 0.8515 | 0.9113 | 0.9184 | 0.7621 | 0.8229 | 0.8667 | 0.7785 | 1.9949 | 1.0439 |
Tetradecanoic acid | 1.0240 | 1.0213 | 1.0724 | 1.0129 | 1.0486 | 0.9876 | 1.0377 | 1.0392 | 1.0084 | 1.0144 | 1.0185 |
tetrahydrogeranylgeranyl-bacteriopheophytin | 0.8172 | 0.9242 | 1.0145 | 1.0084 | 1.0510 | 0.8364 | 0.9038 | 0.9461 | 0.9185 | 1.2849 | 1.0598 |
Thr-Ser | 2.3818 | 0.4925 | 0.5911 | 0.1817 | 0.4485 | NA | 0.3327 | NA | 2.8995 | 1.0034 | 0.4671 |
Thr-Ser-Ser | 0.2025 | 0.5918 | NA | NA | 0.2342 | NA | NA | NA | NA | 1.7705 | 0.4653 |
Thymine | 0.8260 | 0.9083 | 1.3522 | 0.5238 | 1.1895 | 0.7089 | 0.8125 | 0.6268 | 0.6782 | 1.6631 | 0.9521 |
Tiotropium | 0.7479 | 1.1736 | 0.8735 | 0.6656 | 0.8484 | 0.8648 | 0.9569 | 0.7668 | 0.8788 | 2.0672 | 0.9112 |
Trifluoroacetic acid | 1.1598 | 1.1130 | 1.1842 | 1.0917 | 1.1220 | 1.1646 | 1.1628 | 1.2396 | 1.1129 | 0.7811 | 1.0736 |
Tyr-Tyr | 0.8758 | 1.0158 | 0.8775 | 1.1882 | 1.0444 | 0.6306 | 0.9875 | 0.7987 | 1.1515 | 0.8497 | 1.4796 |
UDP-glucose | 0.6610 | 0.9192 | 0.7963 | 0.6837 | 0.8362 | 0.6572 | 0.7046 | 0.7481 | 0.5944 | 2.8286 | 0.6308 |
UDP-N-acetyl-D-glucosamine | 0.7224 | 0.9140 | 0.8499 | 0.7647 | 0.8766 | 0.6585 | 0.7180 | 0.7819 | 0.6903 | 2.4608 | 0.7851 |
Uracil | 1.0060 | 1.1132 | 1.0436 | 0.9298 | 1.1896 | 0.9359 | 1.0666 | 1.0738 | 1.0121 | 1.3109 | 0.9964 |
Ursodiol | 0.9782 | 1.1307 | 1.2275 | 0.9053 | 1.2348 | 0.7653 | 1.1191 | 0.9835 | 1.0191 | 1.3424 | 0.9903 |
xi-8-Hydroxyhexadecanedioic acid | 1.5320 | 1.2068 | 1.2774 | 0.6494 | 0.6806 | 1.6940 | 1.0594 | 0.9059 | 0.7306 | 0.4534 | 1.1461 |
Factors:
F1 | Condition:Aqm treated |
F2 | Condition:Atov treated |
F3 | Condition:CQ treated |
F4 | Condition:DHA treated |
F5 | Condition:DMSO treated |
F6 | Condition:JPC treated |
F7 | Condition:LF treated |
F8 | Condition:MQ treated |
F9 | Condition:PYN treated |
F10 | Condition:QC |
F11 | Condition:TQ treated |