Data for (Study ST001033)

(Analysis AN001694)

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

MetaboliteF1F2F3F4F5F6F7F8F9
1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol 1.0711 1.1554 0.9407 1.1899 0.9811 0.8921 0.8802 1.0798 0.8098
1,2-Dihydroxy-5-(methylthio)pent-1-en-3-one 0.6703 0.8740 0.3618 2.1618 0.7948 0.4814 0.6761 2.4206 0.5592
1,6-diaminohexane 0.9199 1.0216 0.9079 0.9305 0.8936 1.2712 1.0285 1.0992 0.9276
2,3,4,5-Tetrahydrodipicolinate 0.9600 0.9530 1.0052 0.9203 1.1713 0.8384 1.1979 0.8662 1.0877
2,3,5-Trihydroxytoluene 0.8602 0.8118 0.8062 1.2644 1.2465 0.8117 1.1171 1.0323 1.0497
2,3-Dimethylmaleate 0.8668 0.6209 0.8964 1.1581 1.3828 0.8105 1.2777 0.8006 1.1862
(24R,24^R)-Fucosterol epoxide 1.0616 1.1002 1.1503 0.9617 1.0678 1.0276 0.9539 0.7419 0.9350
2(alpha-D-Mannosyl)-D-glycerate 0.9309 0.8500 0.9506 1.1279 1.2213 0.8659 1.1254 0.9112 1.0168
2-Amino-2-deoxy-D-gluconate 0.9558 0.9470 0.9110 1.1298 1.0657 0.9215 1.0738 1.0771 0.9182
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate 1.0462 1.0546 1.1291 0.8814 1.0221 1.1165 0.9141 0.9093 0.9267
2-Amino-9,10-epoxy-8-oxodecanoic acid 0.8014 0.8401 0.6528 1.2434 1.2866 0.6512 1.3100 1.0791 1.1354
2-C-Methyl-D-erythritol 4-phosphate 0.8160 0.5323 0.8436 1.3907 1.4125 0.5339 1.3436 0.9690 1.1584
2-Deoxy-2,3-dehydro-N-acetylneuraminic acid 0.9837 0.9693 0.9344 1.1809 1.0173 0.9264 1.0509 1.0308 0.9063
2-Hydroxyadenine 0.8461 1.8630 0.6843 0.8133 0.9867 0.9792 0.9896 0.8430 0.9948
2-Hydroxyethanesulfonate 0.2928 0.2574 0.2222 0.5474 0.3836 3.3585 1.5015 1.7730 0.5791
2-Oxoglutaramate 0.9651 0.7061 0.6038 0.7119 0.9750 1.1785 1.2602 1.1407 1.3779
2-Oxoglutarate 1.0899 0.9840 0.9746 1.3995 0.8674 0.7772 0.8410 1.2847 0.7817
2-phthalimidoglutarate 1.0335 0.9866 0.9762 0.9141 0.9348 1.1130 1.0691 0.9977 0.9749
2-Quinolinecarboxylic acid 1.1713 1.1269 0.8717 1.1172 0.8636 0.7946 0.9735 0.5294 1.5518
3-(4-Hydroxyphenyl)lactate 0.9383 0.8883 0.9373 0.9759 1.0424 1.1692 1.0066 0.9332 1.1088
3-Amino-2-piperidone 0.9562 0.9765 0.9109 0.9600 0.9146 1.2418 1.0655 0.9749 0.9996
3-beta-D-Galactosyl-sn-glycerol 1.0077 1.0215 1.0471 0.9602 0.9866 1.0788 1.0458 0.8684 0.9840
3-Dehydrocarnitine 1.1437 1.0089 1.0257 0.9277 0.9319 0.9340 1.1603 0.8468 1.0210
3-Methyleneoxindole 1.1079 1.3125 0.8698 1.0753 0.9185 0.6649 1.0385 0.4316 1.5810
3-nitro-2-pentanol 1.0636 0.7102 0.8469 1.1018 0.7951 1.3787 1.2056 0.8356 1.0625
3-Phospho-D-glycerate 0.6909 0.5285 0.6322 1.0222 1.3355 0.9788 1.5765 1.1131 1.1223
3-propylphosphoenolpyruvate 1.0444 0.9714 0.8664 1.0536 1.0766 0.9918 1.0077 0.9772 1.0107
4a-Hydroxytetrahydrobiopterin 1.0301 1.0230 1.1702 0.9776 1.0048 1.0341 0.8794 0.8638 1.0172
4-Amino-4-deoxychorismate 0.9432 0.8369 0.7182 1.2918 1.2647 0.6894 1.1328 1.1759 0.9472
4-Aminobenzoate 0.9571 0.9831 1.0280 0.9918 0.9797 1.1113 1.0442 0.9036 1.0012
4-Aminobutanoate 2.9566 0.4542 0.3489 0.9809 0.8596 0.7235 0.8660 0.9501 0.8603
4-Hydroxy-4-methylglutamate 1.0106 0.8798 0.7677 1.4423 1.0815 0.6888 1.0347 1.2016 0.8930
4-Hydroxyphenylacetylglycine 0.9242 0.8476 0.7507 1.2152 1.0460 0.8617 1.0657 1.3866 0.9025
4-Nitroaniline 1.0146 1.0394 0.7947 0.9539 0.7764 1.5836 1.0384 0.9527 0.8463
4-Pyridoxate 1.0440 0.9357 0.8739 1.0059 1.0903 1.1112 1.0401 0.9689 0.9302
4-Pyridoxolactone 1.0363 1.0379 1.0114 1.0004 1.0087 0.9824 0.9780 1.0001 0.9448
4-Trimethylammoniobutanoate 0.9713 0.9717 1.0698 1.0195 0.9981 1.0131 1.0175 0.9867 0.9522
5,6-Dihydrothymine 0.9249 0.9462 0.9823 1.0523 0.9955 1.0672 1.0596 0.9253 1.0467
5,8,13,13a-Tetrahydrocolumbamine 0.9816 0.9753 1.0673 0.9570 1.0151 1.0858 0.9644 0.9956 0.9580
5-Guanidino-2-oxopentanoate 1.0521 0.6967 0.7361 1.0009 1.3198 0.8918 1.3447 0.9478 1.0101
5-Hydroxytryptophan 1.1615 1.1183 1.1003 0.9946 0.7680 1.0414 0.9840 0.7764 1.0557
5^-Methylthioadenosine 1.0611 0.9100 1.0409 0.9600 0.9553 1.0703 1.1020 0.8263 1.0742
5-Oxoproline 1.0197 0.9151 0.9945 1.1668 1.0913 0.8469 1.0340 0.9642 0.9676
6,7-Dimethyl-8-(1-D-ribityl)lumazine 1.2760 1.0017 1.0505 1.1666 0.8331 0.8246 0.9126 1.0466 0.8881
6-Acetyl-D-glucose 1.0619 1.0410 1.1352 1.0099 0.8975 0.9907 0.9751 0.9180 0.9707
6-Phospho-D-gluconate 0.7121 0.5565 0.6126 1.2952 1.1860 0.7724 1.3510 1.5831 0.9311
8-Amino-7-oxononanoate 1.0202 0.9935 1.0014 1.0233 1.0030 1.0792 1.0204 0.8726 0.9863
9-Oxononanoic acid 0.9779 0.8696 0.9902 0.9134 0.9562 1.1411 1.0394 0.9925 1.1196
Acetyl phosphate 1.1346 1.0166 0.8561 1.5124 0.8201 0.6012 0.8529 1.4495 0.7565
Adenine 0.9453 0.9754 0.9408 1.0721 0.9740 1.1098 1.0653 0.9196 0.9978
ADP 0.7872 0.7306 0.6443 1.2704 1.1039 0.8292 1.1312 1.6170 0.8861
Ala-Ala-Ala-Ser 1.0369 0.9590 1.0346 1.0587 0.9904 1.0692 0.9770 0.9372 0.9368
Ala-Asp-Ser 0.9657 1.0503 0.9393 1.0802 0.9832 1.0281 1.0269 0.9249 1.0012
Ala-Glu-Glu-His 0.9004 0.1254 NA 1.4992 NA NA NA 1.4750 NA
Ala-Gly-Pro NA 1.0000 NA NA NA NA NA NA NA
Ala-Gly-Ser 0.4078 2.2868 NA 0.5832 NA NA NA 0.5741 NA
Ala-Leu-Gly-Arg 0.8799 0.8771 1.0965 1.1534 1.1399 0.8394 1.1484 0.8223 1.0430
Ala-Leu-Thr-Ala 0.9831 0.9790 1.0069 1.0655 1.0646 0.9407 1.0183 0.9617 0.9803
Ala-Leu-Trp-Arg 0.9390 0.4478 0.6480 1.8952 1.4389 0.2937 1.2644 1.1815 0.8914
Ala-Lys-Lys-Asp 0.7141 NA NA 1.2366 NA NA NA 1.0493 NA
Ala-Met-Asp-Tyr 1.0345 1.1608 1.0672 0.8384 0.8612 1.0551 0.9662 1.0313 0.9853
Ala-Pro 1.8810 2.2293 0.1044 2.2606 0.1294 0.1328 0.1214 2.0067 0.1343
Ala-Ser 0.8971 0.9306 0.9103 1.1490 1.1071 0.9602 1.0691 0.9338 1.0426
Aloesin 1.0544 0.9007 0.8284 0.9272 1.0786 1.1265 1.2142 0.9447 0.9252
alpha-D-Glucosamine 1-phosphate 0.8785 0.7706 0.4400 1.0689 1.1857 1.1914 1.2988 0.9795 1.1867
alpha-N-Phenylacetyl-L-glutamine 1.1661 0.9089 1.0968 0.9174 1.0757 0.9011 1.0552 1.0726 0.8062
AMP 1.0120 1.1036 0.8856 1.1558 0.9488 0.8441 0.9399 1.1669 0.9434
Amurensine 1.2752 0.7980 1.1576 1.0971 1.1442 0.6955 1.0833 0.5920 1.0551
ancymidol 1.0098 0.9687 0.9784 0.9796 1.0799 1.0141 0.9641 0.9968 1.0085
Anthocyanin 3^-O-beta-D-glucoside 1.2410 0.8610 0.9400 1.3018 0.8664 0.8650 0.8408 1.2782 0.8057
Apiole 0.9527 0.9298 0.9843 1.0509 1.0075 0.9803 0.9924 1.1684 0.9337
Arg-Asp-Asp-Gly 0.9753 0.8877 0.8347 1.0520 1.2216 0.9474 1.0589 1.1128 0.9096
(-)-Argemonine 0.7880 NA 0.6032 1.5779 0.8211 NA 1.3162 0.7776 1.0212
Arg-Lys-Pro-His 0.8643 0.9011 0.8234 1.2723 1.0667 0.9346 1.1196 1.1324 0.8856
Arg-Phe-Phe-Arg 0.8091 0.6848 0.7008 0.8365 1.4504 1.2179 1.4208 0.7113 1.1683
Asn-Asp 1.1782 1.0978 0.7823 1.1903 0.8845 0.9037 0.9093 1.1458 0.9082
Asn-Cys-Cys 1.0988 1.0340 0.9250 0.8706 1.0186 1.0404 1.1031 0.8537 1.0558
Asn-Glu-Ile-Pro 0.8653 0.9891 0.9234 1.0540 1.0645 0.8490 1.1239 1.1283 1.0026
Asn-Gly-Pro-Pro 0.8338 NA NA 1.1779 NA NA NA 0.9883 NA
Asn-Leu-Pro-Pro 0.7990 NA NA 1.1894 NA NA NA 1.0116 NA
Asn-Pro 0.9939 0.9827 0.9301 1.0786 1.0263 0.9302 1.0740 1.0548 0.9293
Asn-Val-Asn-Asn 1.0299 0.7742 0.9302 1.2014 1.2391 0.7304 1.0820 0.9648 1.0481
Asp-Arg 0.9036 0.9661 1.0595 1.0538 0.9078 1.2521 0.9117 0.9800 0.9654
Aspartyl-L-proline 2.7704 1.1058 0.0575 2.2574 0.1535 0.1558 0.1751 2.1489 0.1755
Aspartylysine 1.0322 0.8469 0.8920 1.3441 0.9128 0.9578 0.9075 1.2325 0.8742
Asp-Cys-Cys-Ser 1.0785 0.3264 0.3901 1.9930 1.4075 0.2817 1.3544 1.1935 0.9749
Asp-Gly-Arg 1.0533 0.9455 1.0305 1.0114 1.0802 1.0511 0.9364 0.9781 0.9136
Asp-Leu-Lys-Asp 1.0784 0.8421 0.9160 1.0052 1.0275 0.9666 1.0252 1.1617 0.9773
Asp-Lys-Lys-Tyr 1.0188 0.9720 1.0928 0.9527 1.0322 0.9938 1.0233 0.9470 0.9673
Asp-Thr-Cys-Cys 1.1222 0.8272 0.5732 1.5177 0.8548 0.7586 1.0578 1.3794 0.9092
Asp-Val-Pro-Ser 1.2908 1.1626 0.8774 1.0377 0.6150 1.1299 0.8869 1.1635 0.8362
ATP 0.6191 0.5181 0.5536 1.1778 0.9255 0.8353 1.2207 2.3529 0.7969
beta-Citryl-L-glutamic acid 0.6964 0.6769 0.6639 1.0920 1.3844 0.8619 1.2823 1.3820 0.9602
betaine aldehyde hydrate 0.8060 0.8222 0.7545 1.1843 0.7776 1.7234 1.1132 0.9662 0.8040
Camptothecin 1.0053 0.9043 0.8892 1.0715 1.2080 0.9367 0.9146 1.1850 0.8855
Capryloylglycine 0.9875 0.9824 1.0507 0.9588 0.9578 1.1353 1.0730 0.9078 0.9467
Cassyfiline 1.0400 0.7610 1.0433 1.3394 1.2434 0.5798 1.1661 0.6336 1.1935
Cer(d40:2) 1.0589 1.1187 1.2336 0.8600 1.0688 1.0134 0.9502 0.7494 0.9470
Cholate 1.1091 0.9777 0.9908 1.3672 0.9601 0.6613 0.9265 1.1628 0.8446
Cholesta-5,7-dien-3beta-ol 1.0182 0.9602 0.9978 1.0366 1.0314 1.0140 0.9905 0.8659 1.0854
Cholesterolsulfate 1.0355 1.0293 0.9772 1.0098 1.0728 0.9990 1.0019 0.9123 0.9623
Choline 0.8462 0.8079 0.9556 1.1079 1.1375 0.9595 1.1774 0.8315 1.1764
Choline phosphate 1.0114 0.7943 2.4689 1.0303 0.6453 0.6743 0.6369 0.9260 0.8126
cis-Aconitate 0.9889 0.9120 0.9240 1.1061 1.1450 0.9478 0.9875 0.9792 1.0094
Citrate 0.9076 0.7718 0.7940 1.2440 1.0812 0.9671 1.1128 1.1658 0.9556
Clavulanic acid 1.0042 1.0781 1.2709 0.9066 1.0746 0.9520 0.9385 0.7599 1.0153
CMP 0.8780 0.8422 2.0909 1.1398 0.8218 0.6597 0.6625 1.1500 0.7550
CMP-2-aminoethylphosphonate 0.9993 1.0017 0.9584 1.0681 1.0646 0.9997 0.9768 0.9749 0.9566
CMP-N-trimethyl-2-aminoethylphosphonate 1.0109 0.9772 1.0198 1.0507 1.0731 0.9754 0.9644 0.9417 0.9867
Convicine 0.8758 0.8131 0.7375 1.1940 1.2743 0.8811 1.1515 1.1094 0.9634
Corydaline 0.9905 0.5554 0.8098 1.6120 1.2807 0.4246 1.1386 1.1961 0.9923
Creatine 0.9644 1.0278 0.9506 1.0823 0.9367 0.9644 1.0412 0.9858 1.0468
Creatinine 0.9752 1.0539 0.9772 0.9751 0.9328 1.1113 1.0294 0.8504 1.0947
CTAB 1.0647 1.0579 1.0084 1.0067 1.0094 0.9238 1.0150 0.9443 0.9698
Cys-Gly 1.0255 0.8929 0.9113 1.0621 1.1741 0.9890 0.9155 1.2015 0.8280
Cys-Gly-Pro 0.9170 1.0049 0.9401 0.8633 1.0568 1.1007 1.0390 1.0518 1.0264
Cys-Leu-Cys-Tyr 0.9977 0.9293 0.9492 1.0902 1.0143 0.9815 1.0341 1.0066 0.9970
Cys-Phe-Gly-Gly 1.0636 1.0225 0.8091 1.0106 1.0404 0.9916 1.0231 1.0830 0.9561
Cytidine 0.4248 1.4217 0.7082 0.7308 1.0964 1.1080 1.3516 0.8302 1.3283
D-4^-Phosphopantothenate 1.2755 1.2152 0.5104 1.8083 0.7812 0.5749 0.6850 1.5280 0.6216
D-Arabinonate 1.0789 0.9957 1.0213 1.0739 1.0071 1.0046 1.0082 0.8004 1.0098
deacetylcolchicine 0.9848 0.7921 0.8697 1.1646 1.1798 0.9141 1.1047 1.0036 0.9865
Decanoyl-CoA 1.0529 0.9077 0.7943 1.0836 1.2775 0.9600 0.8319 1.3211 0.7710
D-Erythrose 4-phosphate 0.4327 0.4595 0.6206 0.9609 0.9750 1.2030 1.7014 1.2292 1.2826
D-Fructose 1.0100 0.8308 0.9901 1.2197 1.1336 0.8434 1.0784 0.8887 1.0053
D-Fructose 1,6-bisphosphate 0.5988 0.5581 0.5444 1.1807 1.1408 0.8139 1.3064 1.9674 0.8896
D-Fructose 6-phosphate 0.9181 1.0142 0.7967 1.0745 0.7858 0.7697 1.4686 1.3541 0.8183
D-Galactonate 0.8701 0.7603 0.8255 1.1167 1.0717 0.8365 1.1514 1.3640 1.0038
D-Galacturonate 0.8924 0.8137 0.8478 1.2028 1.1717 0.8250 1.2298 0.9891 1.0277
D-Gluconic acid 0.9946 0.9777 1.0055 1.0383 1.0117 1.0141 1.0455 0.9388 0.9739
D-Glucono-1,5-lactone 1.0261 1.0149 1.0601 0.9945 0.9989 1.0401 1.0301 0.8607 0.9745
D-Glucosamine 0.8347 1.0041 0.9865 1.0698 1.0281 1.0037 1.0959 0.9682 1.0090
D-Glucose 0.9481 0.9928 0.9630 1.0842 1.0425 0.9923 1.0601 0.9485 0.9686
D-Glucose 6-phosphate 1.0531 0.9536 0.9182 1.2280 1.0383 0.9149 0.8847 1.2500 0.7592
D-Glycerate 1.1655 0.8576 1.0097 1.1107 0.9559 1.0037 1.0310 0.9631 0.9027
Diethanolamine 1.0303 1.0019 0.9552 1.1395 0.9120 0.9759 1.1395 0.9905 0.8552
dihydrothymidine 1.7146 2.0034 0.2769 1.6204 0.3416 0.5891 0.3417 1.5923 0.3554
D-Mannitol 1-phosphate 0.9466 0.8375 0.8235 1.1250 1.2197 0.9217 1.1146 1.0514 0.9599
D-Mannonate 0.9308 0.9356 0.9359 1.0443 1.0780 0.9598 1.1359 0.9497 1.0299
D-myo-Inositol 1,2-cyclic phosphate 0.9630 0.9153 0.8915 1.0437 1.0292 1.1275 1.0619 1.0128 0.9551
Docosanoic acid 0.9867 0.9909 1.0304 0.8657 1.0982 1.0856 0.9890 0.8129 1.1407
Dodecanedioic acid 1.0064 0.9775 1.0772 0.9210 1.0412 1.1031 0.9534 1.0386 0.8814
Dodecanoic acid 0.9981 0.9942 1.0103 0.8654 0.7989 1.5131 0.9379 0.9035 0.9787
D-Ribose 1.0553 1.0389 1.1407 0.8822 0.9811 1.0949 1.0094 0.7942 1.0034
D-Ribose 5-phosphate 0.9963 0.9977 0.8837 0.9672 1.0747 1.0296 1.0372 1.0294 0.9842
D-Sedoheptulose 7-phosphate 1.4932 1.2666 0.9693 1.7182 0.6209 0.5030 0.4217 1.5700 0.4372
Ectoine 1.2521 1.1556 0.9603 0.9226 0.9767 1.1703 0.9057 0.6640 0.9926
Elaidiccarnitine 0.9783 0.9183 0.9539 0.9814 1.0809 1.1020 1.0459 0.8877 1.0517
Ergothioneine 0.7285 0.5034 0.9028 1.3757 1.1786 0.6242 0.8422 2.1211 0.7235
Erythronicacid 0.9906 0.8580 0.9191 1.0724 1.1133 1.0318 1.0976 0.8984 1.0189
Ethanolamine phosphate 1.3697 0.7936 1.2761 1.2890 0.7954 0.7473 0.8129 1.1723 0.7437
Ethyl 3-oxobutanoate 0.9619 0.9782 0.9842 1.1358 0.9751 0.9264 0.9071 1.2183 0.9129
FA (18:1) 0.8967 0.9487 0.9837 1.1346 0.9776 0.9464 1.0433 1.1458 0.9232
[FA (18:1)] 9R,10S-epoxy-12Z-octadecenoic acid 0.8209 1.0612 1.1504 1.0552 0.8025 1.1270 1.2157 0.9371 0.8300
[FA (5:2)] 2,4-pentadienoic acid 1.0099 0.9420 0.9796 0.9666 1.0198 1.0746 1.0482 0.9730 0.9863
FA dimethyl(16:0) 0.7203 0.6553 1.2565 0.8632 1.1573 1.1526 1.2388 0.7126 1.2434
Fagomine 1.0172 0.9455 1.0414 0.9355 1.0682 1.0530 1.0964 0.8692 0.9735
FA methyl(14:0) 0.8497 0.7036 1.1482 1.0133 1.1379 0.9646 1.2725 0.7337 1.1766
FA methyl(15:0) tridecanedioic acid 1.6328 1.5039 0.6553 0.9661 0.8805 1.6603 1.1389 0.3205 0.2417
FA methyl(18:0) 0.7553 0.5771 1.2427 0.6919 1.2679 1.2821 1.1907 0.6470 1.3453
FA oxo(8:0) oxo-octanoic acid 0.9052 0.9206 1.0651 0.8818 1.0093 1.2637 0.9972 0.9387 1.0183
[FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid 0.9966 0.9265 1.0347 1.0945 0.9932 1.0544 1.0156 0.8981 0.9865
[FA trimethyl(13:0)] 4,8,12-trimethyl-tridecanoic acid 0.7749 0.6460 1.2173 0.9287 1.0891 1.0769 1.1636 0.8469 1.2567
flaviolin 0.9778 1.0124 1.1468 1.1300 0.9801 1.0232 0.9066 0.8653 0.9577
gamma-Glutamyl-Se-methylselenocysteine 1.5531 1.4631 1.0813 1.3949 0.6070 0.5761 0.4598 1.3851 0.4797
gamma-L-Glutamyl-L-cysteine 0.7317 0.8466 0.6417 0.8281 1.5103 1.1681 1.3726 0.8513 1.0495
gamma-L-Glutamyl-L-cysteinyl-beta-alanine 0.9429 0.9184 0.8126 1.2006 1.2492 0.6976 1.0830 1.1174 0.9783
GDP-3,6-dideoxy-D-galactose 1.3369 0.7763 0.7068 1.0265 0.9079 1.3048 1.1061 0.8883 0.9464
GDP-L-fucose 0.7860 0.7152 0.7584 1.2592 1.1242 0.8795 1.2187 1.3384 0.9206
GDP-mannose 0.8644 0.7231 0.7199 1.3050 1.1094 0.8607 1.1689 1.3652 0.8833
Gibberellin A20 0.9422 0.9965 1.0479 1.0175 1.0481 1.0883 1.0530 0.7806 1.0260
Gln-Leu-Lys-Tyr 0.9953 1.0080 0.9542 1.0285 1.0558 1.0023 1.0079 0.9625 0.9856
Glu-Ala-Ser 1.0161 0.9107 0.8339 1.1795 1.0235 0.9596 1.0191 1.1151 0.9424
Glu-Cys-Cys 1.2857 0.2894 0.5269 1.7817 1.2717 0.2970 1.0395 0.6440 1.0707
Glu-Glu-Pro 0.7977 0.7200 NA 1.3012 NA NA NA 1.1811 NA
Glu-Met-Ser 1.0498 0.9407 0.8584 1.0878 1.1503 0.9754 0.9120 1.1633 0.8623
Glutathione 0.9687 0.8287 0.8898 1.1810 1.2271 0.8727 1.0388 1.0724 0.9208
Glutathione disulfide 0.7286 0.8132 0.8741 0.9979 0.8091 1.2203 1.3551 0.9165 1.2853
Glu-Thr 1.3225 0.8499 0.7108 1.4892 0.8939 0.7590 0.8720 1.2867 0.8159
Glycerone phosphate 0.4572 0.3000 0.5783 0.4844 2.0428 1.2567 2.1210 0.3129 1.4468
Glycerophosphoglycerol 0.9491 0.9810 0.8480 1.1923 1.0170 0.8289 1.0700 1.2012 0.9125
Glycylproline 0.1506 2.4964 NA 0.1502 NA 0.1122 NA NA NA
Guanidinoacetate 0.9665 0.8999 0.9941 0.9510 1.0431 1.0677 0.9666 1.0178 1.0933
Gyromitrin 1.0203 0.8413 0.9712 1.2776 1.1191 0.7874 0.9876 0.9839 1.0117
Heptadecanoylcarnitine 1.0290 1.0016 1.1813 0.8613 0.9338 1.1406 1.0048 0.8885 0.9591
Hercynine 1.2008 1.2589 1.2486 0.6925 0.9940 1.0476 0.8283 0.7423 0.9870
Hippurate 1.0531 0.9367 1.0019 1.1371 1.0137 0.7948 1.0404 1.0455 0.9767
Hydantoin-5-propionate 1.1862 0.8569 0.8812 1.2667 0.9424 0.8898 0.9201 1.1754 0.8814
Hydroxybutyrylcarnitine 0.9905 1.0464 1.0140 1.0375 0.9484 0.9892 0.9982 0.9218 1.0540
Hypaphorine 0.9783 0.9693 0.9701 1.1319 0.9747 0.9584 1.0600 0.9577 0.9996
Hypoxanthine 0.8650 0.8569 0.8675 1.0764 1.0376 1.0458 1.0737 1.0978 1.0792
Ile-Ala 1.0348 1.0697 1.0451 0.9590 0.9865 1.0684 0.9883 0.8854 0.9628
Ile-Cys-Phe 1.0511 0.9857 0.8235 1.2224 1.0685 0.7603 1.1135 1.0175 0.9576
Ile-Lys-Pro 1.0036 1.0208 0.9746 1.0294 1.0423 1.0053 0.9601 0.9576 1.0063
IMP 1.0902 1.0402 0.9995 1.1067 0.9932 0.9231 0.9392 1.0472 0.8607
Indole-3-acetamide 1.0280 0.9559 0.8901 1.0693 0.7606 1.0598 1.1853 0.3653 1.6858
Indoleacrylicacid 0.9800 1.0476 1.0386 0.9452 0.9397 1.0993 0.9801 0.9960 0.9735
Inosine 0.8796 0.8251 0.8510 1.0444 1.2918 0.9886 1.1476 0.8426 1.1294
Kievitone hydrate 0.8326 0.8204 0.9411 1.1969 1.1101 0.9104 1.0834 1.0704 1.0346
L-Alanine 1.1337 0.9945 0.9271 1.2263 0.8511 0.8887 0.9207 1.1614 0.8965
L-Arginine 0.9873 0.7536 0.8632 1.3980 1.2357 0.6526 1.0894 1.0442 0.9759
L-Asparagine 0.9792 0.9357 0.9196 1.1302 1.0847 0.8710 1.0948 0.9849 1.0000
L-Aspartate 0.9226 0.8724 0.8952 1.2838 1.2038 0.7355 1.1470 0.9174 1.0223
L-beta-aspartyl-L-alanine 1.0267 1.0363 0.9685 0.9940 1.0164 1.0626 0.9639 0.9847 0.9468
L-beta-aspartyl-L-asparticacid 1.1194 1.1333 0.8623 1.1550 1.0087 0.8653 0.9353 1.0999 0.8207
L-beta-aspartyl-L-glutamicacid 1.6046 0.8783 0.5106 1.7666 0.7047 0.6798 0.6809 1.4632 0.7113
L-beta-aspartyl-L-leucine 1.0077 0.9420 0.8292 1.2208 1.0698 0.8034 1.0263 1.1377 0.9631
L-beta-aspartyl-L-serine 0.9561 1.0174 0.8970 1.0542 1.0467 0.9457 0.9979 1.0973 0.9878
L-beta-aspartyl-L-threonine 1.3581 0.7079 0.6386 1.3677 0.9243 0.7509 0.9728 1.3643 0.9153
L-Carnitine 1.0116 1.0517 1.0192 1.0728 0.9652 0.9874 0.9601 0.8978 1.0343
L-Citrulline 1.0196 1.0170 1.0531 0.9617 0.9739 1.0935 1.0153 0.8732 0.9927
L-Cystine 0.8893 0.6352 0.9994 1.3781 1.3900 0.3519 1.2207 0.8014 1.3341
L-gamma-glutamyl-L-isoleucine 1.1096 0.9782 0.8894 1.0712 1.0030 0.9407 0.9621 1.1293 0.9166
L-Glutamate 1.0096 0.7886 0.8667 1.1426 1.1690 0.8450 1.1775 0.8905 1.1104
L-Glutamate 5-semialdehyde 0.9569 0.7812 0.9146 1.2272 1.1658 0.8374 1.0772 0.9631 1.0766
L-Glutamine 1.0136 0.8252 0.9220 1.2366 1.1623 0.8264 1.0106 0.9686 1.0347
L-Histidine 1.0094 0.8388 0.8619 1.2810 1.0651 0.7977 1.0622 1.0918 0.9920
L-Homocitrulline 1.0404 0.9768 0.9263 1.0568 1.0615 1.0168 0.9966 0.9517 0.9730
Linoelaidylcarnitine 0.9200 0.9519 1.1571 0.8154 1.0385 1.2020 1.1009 0.8354 0.9789
L-Isoleucine 1.0916 0.8462 0.8678 1.2029 1.1028 0.7468 0.9938 1.1183 1.0298
L-isoleucyl-L-proline 0.9880 0.9613 1.0100 1.0406 1.0088 1.0506 1.0190 0.9577 0.9640
L-Leucine 0.9426 0.8724 0.9644 1.2546 1.1585 0.8215 1.0940 0.9346 0.9575
L-Lysine 1.1701 0.9561 0.7422 1.3809 1.0863 0.6073 1.0754 1.0775 0.9043
L-Methionine 0.9795 0.9510 0.9666 1.2372 1.0974 0.8004 1.0280 0.9420 0.9980
L-Methionine S-oxide 1.1296 0.8001 0.9535 1.0344 1.1939 0.7317 1.3081 0.8594 0.9895
L-Ornithine 0.9672 0.9432 0.9033 1.1785 1.0401 0.9169 1.0664 1.0163 0.9682
L-Phenylalanine 1.1442 0.9775 0.8277 1.2631 0.8648 0.8914 0.8982 1.2799 0.8532
L-Pipecolate 2.3745 0.8660 0.2113 2.0651 0.4079 0.3987 0.4282 1.7799 0.4685
L-Proline 1.1624 0.9830 0.9676 1.1763 1.0250 0.8791 0.9366 0.9408 0.9293
L-Serine 0.9850 0.9069 0.9660 1.1210 1.0618 0.8923 1.0397 0.9684 1.0589
L-Threonine 1.0386 0.8106 0.8231 1.3335 1.1034 0.7745 1.0075 1.0801 1.0288
L-Tryptophan 1.1916 0.8718 0.8724 1.3306 0.9676 0.7598 0.9343 1.1942 0.8777
L-Tyrosine 0.8748 0.7900 0.7327 1.3869 1.1764 0.6753 1.2410 1.1103 1.0127
L-Valine 1.1618 0.8882 0.8779 1.3470 1.0139 0.7603 0.9443 1.1025 0.9040
Lys-Met-Phe 0.9870 1.0467 1.0294 1.0592 1.0727 0.8993 1.0018 0.9284 0.9756
LysoPC(16:0) 1.3041 0.8098 1.0801 1.2962 1.2408 0.6419 0.9439 0.7668 0.9165
[LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocholine 0.9722 1.0570 0.9764 1.1028 0.9745 0.9766 0.9244 0.9787 1.0374
LysoPC(18:0) 1.2595 0.8179 1.2985 1.1978 1.1919 0.6938 0.9270 0.7263 0.8872
LysoPC(18:1) 1.2164 0.7785 1.0045 1.2634 1.2255 0.7941 1.0470 0.7707 0.8999
LysoPC(20:4) 0.9207 0.8400 0.9615 1.2441 1.0163 1.1501 1.1314 0.8279 0.9081
LysoPC(O-16:1) 1.0036 0.9075 1.0009 1.1102 1.0890 0.9833 1.0110 0.8692 1.0253
LysoPC(O-18:2) 0.9740 1.0476 1.0424 0.9760 1.0314 1.0218 1.0627 0.8812 0.9628
LysoPE(18:0) 1.2184 0.7644 1.1081 1.4299 1.1950 0.6547 0.9362 0.6972 0.9959
LysoPE(18:1) 1.0596 0.8828 1.0204 1.1475 1.0535 0.9522 1.0444 0.8973 0.9424
LysoPE(18:2) 1.0401 0.7936 0.8323 1.2447 1.0348 1.0945 1.0493 0.9653 0.9455
LysoPE(20:0) 1.2586 0.8254 1.1630 1.2973 1.2435 0.7111 0.8772 0.7093 0.9146
LysoPE(20:4) 0.8932 0.8102 0.9770 1.0231 0.9004 1.1895 1.1670 0.9102 1.1294
Lys-Pro 1.1480 0.9765 NA 0.9072 NA NA NA 0.9683 NA
Lys-Ser 0.8022 3.3479 0.6771 0.9373 0.6209 0.6059 0.6335 0.8614 0.5137
Lys-Thr-Ser 1.0165 0.9970 1.0165 1.0937 1.0729 0.9755 1.0128 0.9541 0.8610
Lys-Thr-Thr 0.9451 0.9876 1.0116 1.0646 1.0634 0.9355 1.0803 1.0051 0.9069
Lys-Val 0.9454 0.9672 0.9194 1.1039 1.0162 0.9644 1.0757 0.9821 1.0258
Mannitol 1.0185 0.9876 1.0162 0.9856 0.9668 1.0538 1.0239 0.9104 1.0372
melibionate 0.9649 0.8760 0.8526 1.1113 1.1837 0.9349 1.0102 1.0915 0.9749
Met-Ala-Gly 1.2827 1.1793 1.0127 0.9855 1.0307 1.0558 0.8055 0.8260 0.8218
Met-Cys-Cys 1.1663 1.1156 1.0831 0.9080 1.0453 1.0298 0.9261 0.7834 0.9424
Methacholine 0.9623 1.0048 1.0604 1.0033 0.9913 1.0111 1.0072 0.9715 0.9881
Methyl 2-diazoacetamidohexonate 1.0373 0.8993 0.9363 1.1867 1.1791 0.8777 0.8980 1.1543 0.8313
Met-Met-Met 1.0317 0.8890 0.8817 1.2036 1.2139 0.8462 0.9489 1.2157 0.7692
Monomethyl sulfate 1.1217 1.1698 1.1347 0.8168 0.8986 1.0421 1.0155 0.7719 1.0288
Morphinone 1.1911 0.7519 1.1809 1.4084 1.0361 0.5446 0.9486 0.9167 1.0089
Muramic acid 1.0242 0.9943 1.0160 0.9673 1.0696 1.0126 0.9531 0.9806 0.9822
N2-Acetyl-L-aminoadipate 0.9888 0.9692 1.0415 0.9473 1.0316 1.0550 1.0693 0.8985 0.9988
N2-(D-1-Carboxyethyl)-L-arginine 1.2975 1.2661 0.9951 1.3551 0.7195 0.7241 0.6696 1.2196 0.7534
N2-(D-1-Carboxyethyl)-L-lysine 0.9515 0.9195 0.9737 1.0428 1.0327 1.0428 1.0502 0.9420 1.0449
N2-Succinyl-L-arginine NA 1.0000 NA NA NA NA NA NA NA
N-(3-oxooctanoyl)-L-homoserine 1.0206 0.9797 0.9198 1.0307 0.9939 1.0098 0.9945 1.0137 1.0372
N4-(Acetyl-beta-D-glucosaminyl)asparagine 1.0500 0.9868 1.0710 0.9789 1.0446 1.0487 0.9842 0.8778 0.9579
N6-Acetyl-L-lysine 1.0360 1.0234 0.9974 1.0261 1.0205 1.0583 1.0077 0.8962 0.9344
N6-Acetyl-N6-hydroxy-L-lysine 1.0418 1.0673 1.0527 0.9822 1.0127 0.9689 0.9848 0.9582 0.9315
N6-Methyl-L-lysine 0.9879 1.0372 0.9114 1.1081 1.0117 0.9015 1.0366 1.0611 0.9445
N6,N6,N6-Trimethyl-L-lysine 0.9815 1.0582 1.0263 1.0886 0.9649 0.9892 0.9789 0.9620 0.9503
N-Acetyl-D-glucosaminate 0.9820 0.9669 1.0200 0.9872 0.9597 0.9981 0.9812 1.1740 0.9309
N-Acetyl-D-glucosamine 1,6-bisphosphate 0.7139 0.6244 0.6195 1.2272 1.1818 0.8197 1.3478 1.4953 0.9704
N-Acetyl-D-glucosamine 6-phosphate 0.9768 0.9395 0.9404 1.1460 1.1944 0.8869 0.9764 0.9945 0.9450
N-acetyl -D- glucosaminitol 1.0185 0.9812 1.0269 0.9807 1.0167 1.0326 1.0458 0.8838 1.0136
N-Acetyl-L-aspartate 0.9931 0.8511 0.9582 1.1843 1.1205 0.8941 1.0473 0.9793 0.9722
N-Acetyl-L-citrulline 0.9314 1.1183 0.8053 1.0475 1.0875 1.0622 1.1649 0.6839 1.0990
N-Acetyl-L-leucine 1.0698 0.9582 1.0732 1.0208 0.9809 1.0468 1.0215 0.8697 0.9590
N-Acetylmethionine 0.5211 1.5866 NA 0.5468 NA NA NA 0.6796 NA
N-Acetylornithine 0.9945 0.9548 1.0601 1.0511 1.0466 0.9745 1.0288 0.9567 0.9328
N-Acetylputrescine 1.0714 0.8043 0.9313 1.2922 1.1912 0.7343 1.1525 0.7871 1.0357
NAD+ 1.0394 1.0136 1.0147 1.0878 0.9914 0.9336 0.9712 0.9912 0.9571
NADP+ 0.8567 0.6941 0.7582 1.2097 1.1220 0.8710 1.1857 1.3903 0.9123
N-Carbamoyl-L-aspartate 8.4790 0.0527 0.0422 0.0908 0.0671 0.0559 0.0697 0.0866 0.0560
N-Carbamyl-L-glutamate 1.0553 1.0037 0.9467 1.2077 0.9886 0.8714 0.9296 1.1423 0.8547
N-dimethylethanolamine 0.6100 0.9221 0.9263 0.8517 1.0711 1.3367 0.9369 1.0591 1.2861
N-(eicosanoyl)-sphinganine-1-phospho-(1^-myo-inositol) 0.9828 0.9110 0.9776 1.0605 0.9329 1.0208 1.0652 0.9656 1.0835
Ne,Ne dimethyllysine 1.0156 1.2276 0.8624 1.0952 0.9524 0.9768 0.9726 0.9491 0.9484
N-Ethylmaleimide 0.9987 1.0500 1.0600 1.0280 0.9378 1.0150 1.1012 0.8472 0.9622
NG,NG-Dimethyl-L-arginine 0.6288 4.9378 0.5173 0.5302 0.4115 0.4862 0.4826 0.4796 0.5261
N-Hydroxy-L-tyrosine 0.9587 0.8643 0.8593 0.9846 1.1645 1.1400 1.0776 1.0720 0.8788
Nicotinamide 0.9322 0.5697 0.7883 1.3194 1.1345 0.9540 1.2394 0.9024 1.1601
Nicotinamide D-ribonucleotide 0.9152 1.0313 0.8953 0.9990 1.0983 1.0629 1.0715 0.9616 0.9649
Nicotinate 0.9909 1.0089 1.2154 0.6414 0.7480 1.1700 1.2612 0.8987 1.0655
Nicotinate D-ribonucleoside 0.8465 0.8119 0.9154 1.0832 1.2118 1.0452 1.1503 0.8782 1.0575
N-(L-Arginino)succinate 1.0655 0.9595 0.9031 0.9636 1.0968 1.0396 1.0763 0.8979 0.9979
N,N-Dihydroxy-L-tyrosine 1.0611 1.0178 1.0373 0.9723 1.1360 1.0567 0.8769 0.8614 0.9806
nonulose 9-phosphate 0.9197 0.9083 0.8366 1.1075 1.0839 0.9605 1.0884 1.1347 0.9604
Norlichexanthone 0.9840 0.9748 0.9828 1.2143 1.0385 0.7978 1.1424 0.8736 0.9917
N(pi)-Methyl-L-histidine 1.0827 0.9735 0.9918 1.1003 0.9698 0.9715 1.0217 0.9183 0.9704
N-stearoyl tyrosine 0.8910 0.9919 1.1343 0.9040 1.0998 1.1872 0.9145 0.7837 1.0936
N-Succinyl-L-glutamate 0.7319 1.0508 0.7135 1.8635 0.7747 0.6620 0.7783 1.7733 0.6520
O-Acetylcarnitine 0.9908 0.9990 1.0268 0.9679 0.9934 1.0130 1.0272 0.9831 0.9988
O-Acetyl-L-homoserine 0.5108 0.6761 0.7594 0.9956 0.6215 1.1686 1.9467 0.9147 1.4068
O-Acetylneuraminic acid 0.9424 0.9614 0.9593 1.1763 1.1002 0.9969 1.0224 0.8558 0.9853
O-Butanoylcarnitine 0.9533 0.9811 1.0607 1.0158 1.0751 0.9811 1.0207 0.9433 0.9689
octulose 8-phosphate 1.0101 0.9718 0.8667 1.1279 1.0441 0.9396 1.0707 1.0377 0.9314
Oleoylcarnitine 0.9408 0.9893 1.1866 0.8813 1.0123 1.1712 0.9942 0.8233 1.0010
O-Palmitoyl-R-carnitine 0.8938 0.9064 0.9655 0.8741 1.0819 1.1778 1.1123 0.8705 1.1177
O-Propanoylcarnitine 1.0502 0.9821 1.0161 0.9855 0.9941 1.0247 1.0450 0.9258 0.9764
Orotate 0.4143 0.8923 0.5313 1.2943 1.2549 0.9561 1.2558 1.0508 1.3502
Orotidine 0.9740 0.9847 0.9834 1.0500 1.0502 0.9973 1.0586 0.9181 0.9837
Orthophosphate 0.8986 0.8633 0.8240 1.1479 1.0675 0.8632 1.1131 1.2046 1.0178
Otonecine 1.0135 1.0108 0.9798 1.0316 0.9864 1.0542 0.9950 0.9264 1.0025
PA(34:1) 1.1221 0.9911 1.0230 1.0014 1.1596 1.0138 0.9445 0.8479 0.8966
PA(34:2) 1.0693 0.9928 1.0328 1.0089 1.1300 0.9982 0.9287 0.9211 0.9183
PA(36:4) 1.0926 1.0474 0.9544 0.9509 1.1120 1.0535 0.9354 0.9437 0.9102
PA(36:5) 1.1225 0.9288 1.0114 0.9834 1.0826 1.0375 1.0149 0.9015 0.9174
PA(38:6) 1.0163 1.0484 0.9119 1.0455 1.1069 1.0000 0.9673 0.9047 0.9990
Pantothenate 0.9227 0.8457 0.9241 1.1405 1.2519 0.8167 1.1148 0.9423 1.0413
PC(30:0) 1.0785 1.0162 1.0015 1.0148 0.9381 1.0098 0.9578 1.0033 0.9800
PC(32:0) 1.0858 1.0810 1.0567 0.9750 1.0096 0.9572 0.9348 0.9578 0.9421
PC(32:1) 1.0799 1.0986 0.9749 1.0897 0.9678 0.9192 0.9141 1.0541 0.9016
PC(34:1) 0.9733 1.0161 1.0500 1.0242 1.0165 0.9974 0.9434 0.9927 0.9865
PC(34:2) 1.0535 1.0347 1.0942 0.8796 0.9058 1.0225 0.9931 1.0073 1.0093
PC(36:1) 1.0292 0.9957 0.9957 1.0658 1.0228 1.0379 0.9535 0.9669 0.9326
PC(36:2) 1.0183 0.9631 1.0203 1.0190 1.0391 1.0376 0.9697 0.9811 0.9517
PC(36:3) 0.6734 1.0769 1.3269 0.7478 1.2957 0.6880 0.6233 1.2797 1.2884
PC(36:4) 1.0084 0.9561 0.9999 1.0780 1.0250 1.0160 0.9892 0.9649 0.9625
PC(38:4) 1.0316 0.9798 1.0177 1.0377 1.0395 1.0276 0.9221 0.9729 0.9712
PC(38:6) 0.9859 0.9405 0.9723 1.0980 1.0465 1.0239 0.9503 0.9972 0.9853
PC(40:5) 0.9873 1.0225 0.9546 1.0077 1.0602 1.0532 0.9357 0.9759 1.0029
PC(40:6) 1.0039 0.9872 1.0157 1.0480 1.0393 1.0135 0.9487 0.9903 0.9535
PC(40:7) 0.9815 0.9341 0.9831 1.0808 1.0576 0.9595 0.9841 0.9914 1.0278
[PE(16:0/18:1)] 1-hexadecanoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine 1.0438 0.9448 0.8813 1.0958 1.0551 1.0114 0.9331 1.1101 0.9247
PE(20:2(11Z,14Z)/P-18:1(11Z)) 1.0579 1.0319 0.9997 0.9571 1.0594 1.0408 0.9370 0.9241 0.9921
PE(30:4) 1.1266 1.1866 1.2054 0.8624 1.0293 0.9304 0.8011 0.8978 0.9606
PE(31:4) 1.1995 1.3448 1.2379 0.8949 1.0014 0.9941 0.7692 0.7325 0.8257
PE(32:0) 1.0761 1.0042 0.9554 0.9701 1.1606 1.0059 0.9457 0.9453 0.9366
PE(32:1) 1.0752 0.9909 0.9821 1.0116 1.0885 1.0310 0.9542 0.9301 0.9365
PE(34:3) 1.1230 0.9297 0.9815 1.0020 1.0680 0.9753 0.9951 1.0053 0.9201
PE(34:4) 0.9864 1.0335 0.9671 0.9725 1.0379 1.0521 0.9389 1.0339 0.9777
PE(36:0) 0.9125 1.0756 0.9902 1.0093 1.0363 1.0493 0.9697 1.0241 0.9329
PE(36:2) 1.0093 0.9900 1.0456 1.0142 1.0389 0.9575 1.0075 0.9429 0.9942
PE(36:4) 0.9976 0.9812 0.9947 0.9904 1.0575 0.9925 1.0146 1.0019 0.9696
PE(38:1) 1.1377 0.9827 1.0008 1.0683 0.8088 1.0278 0.9733 1.0158 0.9846
PE(38:6) 1.0094 0.9486 0.9521 1.0145 1.0854 0.9598 1.0332 1.0147 0.9823
PE(O-38:5) 1.0660 1.0272 0.9961 0.9578 1.0666 0.9702 1.0639 0.9067 0.9454
PE(P-34:1) 1.0600 1.0129 1.0885 1.0010 1.0252 1.0181 0.8944 0.8878 1.0122
PE(P-36:4) 1.1206 0.8853 1.0511 1.0469 1.0513 0.9643 0.8732 0.9836 1.0238
PE(P-36:5) 1.1388 1.0385 1.0404 0.9550 1.0290 1.0673 0.9335 0.8055 0.9921
PE(P-38:5) 1.0391 1.0527 1.0306 1.0362 1.0790 0.7017 1.0449 1.0032 1.0127
PE(P-38:6) 1.0011 0.9673 0.9922 0.9970 1.1215 0.9764 1.0211 0.9296 0.9938
PE(P-40:4) 0.9873 1.0128 1.0673 0.9595 0.9742 1.0519 0.9156 0.9674 1.0641
PE(P-40:5) 1.0148 1.0480 0.9926 0.9988 1.0846 0.9396 1.0577 0.8938 0.9701
[PG (16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1^-sn-glycerol) 0.9167 1.1278 0.8418 1.0097 0.7872 1.1293 0.9176 1.3316 0.9383
[PG (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1^-sn-glycerol) 0.9173 1.1588 0.7154 1.0536 0.7961 1.0799 0.9438 1.3822 0.9529
[PG (18:1)] 1-(9E-octadecenoyl)-sn-glycero-3-phospho-(1^-sn-glycerol) 0.8965 1.0869 0.9273 1.1687 0.7827 1.0362 0.8889 1.2376 0.9752
PG(34:1) 1.1190 1.2780 0.7972 1.3106 0.8410 0.8153 0.8092 1.2631 0.7666
PG(36:2) 1.0559 1.2409 0.9148 1.2138 0.8492 0.7960 0.8781 1.2354 0.8158
Phosphocreatine 1.0474 0.9113 0.8506 0.9941 1.2455 1.0656 1.1003 0.8337 0.9514
Phosphoenolpyruvate 0.7469 0.6254 0.7772 0.9319 1.3583 1.1057 1.4501 0.8644 1.1400
Phosphophosphinate 1.0719 0.9114 0.9963 0.9982 0.9379 1.0500 1.0986 0.9367 0.9989
Phthalate 0.9849 0.9639 0.9446 1.0205 1.0451 1.0496 1.0187 1.0075 0.9653
PI(32:0) 1.1035 1.1308 1.0684 0.9176 1.1320 0.9759 0.9235 0.8321 0.9162
PI(34:0) 1.1985 1.2096 1.1218 0.9131 1.1090 0.7247 0.8334 0.8788 1.0111
PI(34:1) 1.1271 1.1453 1.1153 0.9288 1.0791 1.0429 0.8925 0.8477 0.8214
PI(36:4) 1.0872 0.9688 0.9619 1.0561 1.1178 0.9423 0.9800 0.9514 0.9346
PI(38:4) 1.0010 0.9648 0.9544 1.0053 1.1318 0.9976 0.9903 0.9868 0.9680
PI(38:5) 0.9738 0.9812 0.9318 1.0383 1.1678 0.9933 0.9485 0.9778 0.9873
PI(40:6) 1.1430 0.9343 0.9835 1.0435 1.1185 0.9599 0.9900 0.8890 0.9382
Pro-Arg-His 0.9146 0.9364 0.9369 1.0701 0.9801 1.0105 1.0654 1.0794 1.0066
Procollagen 5-(D-galactosyloxy)-L-lysine 1.0997 1.0177 0.9874 0.9434 1.0617 1.0292 1.0193 0.9061 0.9355
Pro-Ser NA 2.3259 NA NA 0.2391 0.2294 NA 0.2085 0.2754
PS(15:0) 1.1159 0.8207 0.7747 1.1799 1.2804 0.8494 1.0104 0.9703 0.9983
PS(18:0) 1.0579 0.8937 0.7946 1.0880 0.9456 1.1606 1.0233 1.0126 1.0237
[PS(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine 0.4742 0.5216 NA 0.6596 1.0112 1.5843 1.1174 0.8454 1.3921
PS(18:2(9Z,12Z)/0:0) 0.5993 0.6906 0.2157 0.9156 1.2478 1.5767 1.3483 0.8949 1.5111
[PS(20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoserine 0.7376 0.6523 0.4208 1.0750 1.1269 1.4081 1.2294 0.9744 1.3755
PS(34:0) 1.0648 1.0810 0.9999 1.0467 1.0210 0.9691 0.9300 1.0344 0.8532
PS(34:1) 1.0513 1.0913 0.9067 0.9978 0.9930 0.9815 0.9582 1.0599 0.9603
PS(34:2) 1.0181 1.0025 0.9580 1.0369 0.9479 0.9382 1.1078 0.9220 1.0686
PS(36:0) 1.0685 1.2125 0.9520 1.1784 0.9076 0.8717 0.8590 1.1246 0.8257
PS(36:1) 1.0623 1.0398 0.9465 1.0373 1.0393 0.9463 0.9455 1.0512 0.9318
PS(36:2) 1.0446 1.0471 0.9240 1.0284 1.0456 0.9363 0.9631 1.0221 0.9888
PS(36:3) 1.0537 1.0631 0.8600 1.0904 0.9972 0.9744 1.0007 1.0467 0.9139
PS(36:4) 1.0147 1.0074 0.9079 0.9997 1.1064 0.9706 0.9867 1.0392 0.9673
PS(38:4) 1.0155 0.9761 0.9702 1.0022 1.0922 1.0004 0.9653 1.0249 0.9532
PS(38:5) 1.0173 0.9676 0.9583 0.9861 1.0595 1.0174 1.0025 1.0329 0.9584
PS(38:6) 1.0363 1.0393 0.9096 0.9782 1.0904 1.0070 0.9857 0.9821 0.9713
PS(40:4) 1.0432 0.9833 0.9567 1.0475 1.1022 0.9967 0.9337 0.9762 0.9604
PS(40:5) 1.0251 0.9931 0.9487 1.0235 1.1040 0.9921 0.9713 1.0052 0.9371
PS(40:8) 1.0474 1.0273 1.0249 1.0329 1.0272 0.9285 1.0274 0.9960 0.8884
PS(42:10) 1.0490 0.9648 0.9462 0.9983 1.1254 0.9819 0.9477 0.9770 1.0097
PS(42:7) 0.9892 1.1133 0.9274 1.0177 1.0836 1.0410 1.0213 0.8583 0.9483
PS(42:9) 1.1182 1.0790 1.0809 0.9018 1.0224 1.0209 0.8486 0.9254 1.0028
PS(52:0) 1.1494 0.9120 1.1148 1.0362 1.0407 0.9947 1.0221 0.7610 0.9691
psicoselysine 1.1473 0.9509 0.7602 1.3258 0.9238 0.8035 0.9683 1.3358 0.7844
Psychosine 0.9364 0.9578 1.1029 0.8091 1.0257 1.1633 1.0434 0.8379 1.1235
Pyridoxal 0.7832 0.7744 0.7167 1.1218 1.1120 0.9889 1.2012 1.3574 0.9444
Pyridoxine phosphate 1.0212 1.0300 1.0297 1.0271 1.1275 0.9179 0.9794 0.9306 0.9366
Quinate 0.8823 0.9282 0.9055 1.0871 1.1052 0.8905 1.1867 1.0468 0.9677
(R)-2-Hydroxyglutarate 0.9994 0.9618 1.0183 1.0327 1.0884 0.9611 1.0178 0.9159 1.0045
Resazurin 0.9433 1.0114 0.9522 0.9827 1.0865 1.0862 0.9579 0.8937 1.0861
(R,R)-Tartaric acid 1.0054 0.9614 0.9953 1.0683 0.9828 0.9574 1.0168 0.9634 1.0492
(S)-1-Pyrroline-5-carboxylate 0.9524 0.6608 0.7377 1.3558 1.1920 0.7108 1.1811 1.2276 0.9817
(S)-2-Aceto-2-hydroxybutanoate 0.9397 0.9294 0.8565 1.1004 1.0657 0.9079 1.0750 1.0892 1.0362
S-(2-Hydroxyethyl)glutathione 1.0930 0.8887 0.8696 1.1920 1.2809 0.8913 0.9541 0.9869 0.8435
S-Adenosyl-L-homocysteine 1.2347 0.9201 0.8754 1.3834 0.8352 0.8239 0.8166 1.2619 0.8488
S-Adenosyl-L-methionine 0.8542 0.9743 1.1697 1.0172 0.9794 1.0288 1.0542 0.9280 0.9942
Sanguinarine 0.9869 0.8075 0.6710 1.4197 1.2994 0.7571 1.1396 1.0782 0.8405
(S)-Dihydroorotate 8.3076 0.0909 0.0702 0.1151 0.0693 0.0764 0.0922 0.0917 0.0866
Sedoheptulose 1.0398 0.9983 1.0613 1.0202 1.0172 0.9929 0.9876 0.9070 0.9757
Ser-Ser NA 1.0000 NA NA NA NA NA NA NA
Ser-Ser-Ser 1.0000 NA NA NA NA NA NA NA NA
Slaframine 0.9940 1.0397 1.0212 1.0077 1.0258 1.0814 0.9739 0.8899 0.9663
(S)-Malate 1.0667 0.8700 0.9007 0.9462 1.1314 1.1668 1.0559 0.8417 1.0207
SM(d16:1/22:1) 1.0693 1.1382 1.0536 0.9844 1.0304 0.9978 0.8798 0.8542 0.9922
SM(d18:1/14:0) 1.0737 1.0613 1.0316 0.9435 1.0160 1.0768 0.9305 0.9186 0.9479
SM(d18:1/18:0) 1.1030 0.9188 1.0841 0.9588 1.0912 1.0439 0.8946 0.8952 1.0105
SM(d18:1/22:0) 1.0823 1.1106 1.1613 0.9055 1.0080 1.0355 0.8954 0.7449 1.0565
SM(d18:1/22:1(13Z)) 1.0914 1.0233 1.0512 0.9185 1.0834 1.0399 0.9312 0.8752 0.9858
SM(d18:2/22:1) 0.9961 0.9485 1.0656 0.9785 0.9594 1.0009 0.9702 1.0808 0.9998
SM(d18:2/24:0) 1.0742 1.0324 1.0815 0.9099 1.0714 1.0395 0.8725 0.9220 0.9965
SM(d18:2/24:1) 1.0125 1.0371 1.0279 0.9710 1.0575 1.0826 0.9167 0.9316 0.9630
SM(d34:2) 1.1029 1.0926 1.0366 0.9042 1.0324 1.0306 0.9169 0.8693 1.0146
SM(d36:2) 0.9320 0.9550 1.0084 1.0555 1.0727 1.0062 0.9209 0.9981 1.0511
SM(d38:1) 0.9945 0.9500 1.0711 1.0303 1.0716 1.0247 0.9013 0.9859 0.9707
SM(d44:1) 1.0465 1.0919 1.0468 0.9892 1.0303 1.0696 0.9208 0.8389 0.9662
S-Methyl-5-thio-D-ribose 1-phosphate 0.6866 0.9899 0.3571 2.4449 0.5735 0.3750 0.6572 2.4593 0.4563
sn-glycero-3-Phosphocholine 0.9203 1.0020 0.8486 0.9642 1.1138 1.0261 1.1587 0.9155 1.0507
sn-glycero-3-Phosphoethanolamine 0.9753 1.0419 0.9410 0.9469 1.0343 1.0220 1.0440 0.9510 1.0435
sn-Glycerol 3-phosphate 0.7841 0.6481 0.7383 0.8563 1.4924 1.1180 1.4295 0.7054 1.2279
[SP (16:0)] N-(hexadecanoyl)-sphing-4-enine 1.0992 1.1612 1.2515 0.8255 1.1088 0.9729 0.8768 0.7618 0.9423
[SP (16:0)] N-(hexadecanoyl)-sphing-4-enine-1-phosphocholine 1.1128 1.0723 1.0515 0.9149 1.0326 1.0549 0.8980 0.8729 0.9901
[SP (24:0)] N-(15Z-tetracosenoyl)-sphing-4-enine 1.1384 1.1787 1.2139 0.8791 1.0168 0.9999 0.8980 0.6858 0.9895
[SP (24:0)] N-(tetracosanoyl)-sphing-4-enine-1-phosphocholine 1.1355 1.0582 1.1741 0.8646 1.0409 1.0449 0.8449 0.7931 1.0439
[SP (26:0)] N-(17Z-hexacosenoyl)-sphing-4-enine-1-phosphocholine 1.0461 1.0378 1.0083 0.9974 1.0401 1.0435 0.9750 0.8657 0.9861
[SP] Sphinganine-1-phosphate 0.9322 0.9892 0.8731 0.9997 1.1430 1.0311 1.0181 1.0078 1.0057
S-Sulfo-L-cysteine 0.9492 0.3347 0.5222 1.3316 1.4567 0.5132 1.7425 1.1947 0.9553
[ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene 0.9994 0.9118 0.8083 0.8397 0.6692 1.1125 1.8020 0.6734 1.1839
Stachydrine 1.0700 0.9811 1.0167 1.0164 0.9790 1.0020 1.0773 0.8897 0.9678
Stearoylcarnitine 0.9997 1.0600 1.1644 0.9341 1.0189 1.0633 0.9191 0.8675 0.9730
Succinate 1.0318 1.0418 0.6520 1.3589 0.8764 0.8455 0.9537 1.3453 0.8946
Succinyladenosine 0.8941 0.6975 0.7901 1.3671 1.3423 0.7492 1.1394 0.9102 1.1100
Sucrose 0.8670 0.8565 0.8155 0.8859 0.9256 1.6974 0.9837 1.1067 0.8618
Sulfoacetaldehyde 1.1107 0.7234 0.9014 1.4528 1.1841 0.7020 1.1278 0.7565 1.0412
Taurine 0.9342 0.8093 1.0552 1.1093 1.1585 0.8668 1.1272 0.8207 1.1188
Thiamin 1.0507 0.8577 0.9226 1.3195 1.1034 0.6739 1.0531 1.0195 0.9995
thiomethyl glutamate 1.0180 0.9420 0.9852 1.0349 0.9761 0.9576 1.0644 0.9756 1.0462
Thiourocanic acid 0.6133 0.7837 1.3917 1.1700 0.8160 0.4542 0.9356 1.8130 1.1559
Thr-Pro 2.2968 1.7301 0.2069 2.0290 0.2300 0.2528 0.2832 1.6398 0.3313
Thr-Ser NA 1.0000 NA NA NA NA NA NA NA
Thr-Thr-Ser 1.0000 NA NA NA NA NA NA NA NA
Thr-Trp-Cys 1.0072 1.0094 1.0083 1.0620 1.1601 0.8997 0.8973 1.1107 0.8455
Thymine 0.5251 0.7271 0.5236 1.2661 0.7286 1.0500 1.0993 1.2727 1.3322
trans-Hexadec-2-enoylcarnitine 0.9430 1.0432 1.0720 0.8532 0.9631 1.2394 1.0298 0.7943 1.0622
Trp-Ala-Cys 0.8662 0.7795 0.8631 1.1849 1.1787 0.9449 1.1519 0.9989 1.0320
Trp-Trp-Ser 1.1848 0.5572 0.9256 1.4555 1.4354 0.2917 1.1839 0.7679 1.1981
UDP 0.9298 0.8900 0.8901 1.0378 1.1934 1.0501 1.0678 0.9633 0.9775
UDP-glucose 0.9038 0.8335 0.8430 1.1163 1.1805 0.9947 1.1269 1.0461 0.9552
UDP-glucuronate 0.6821 0.5435 0.6088 1.2574 1.3046 0.8336 1.4110 1.4179 0.9412
UDP-N-acetyl-D-galactosamine 0.9134 0.8862 0.8422 1.1656 1.1810 0.9989 1.0291 1.0705 0.9131
UMP 0.3832 2.5132 0.4406 1.2143 0.9499 0.7451 0.8310 1.1621 0.7606
Urate 0.5541 0.3291 0.5417 1.3626 1.1689 0.4419 0.9467 2.6716 0.9779
vanillylamine 1.0615 0.9573 0.8951 1.0926 1.0454 0.9631 0.9501 1.1432 0.8917
Vicine 0.9333 0.8966 0.9995 1.0476 1.0020 1.0988 1.0576 0.9694 0.9950
Vinylacetylglycine 0.9618 0.8821 0.9711 1.1444 0.9416 1.0269 1.1828 0.9233 0.9658
(Z)-4-Hydroxyphenylacetaldehyde-oxime 0.9171 0.8396 0.7701 1.0690 1.0025 1.2407 1.2354 1.0672 0.8584
Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

F1drug treatment:Atovaquone
F2drug treatment:Chloroquine
F3drug treatment:Dihydroartemisisin
F4drug treatment:DMSO
F5drug treatment:MMV00073
F6drug treatment:MMV390482
F7drug treatment:MMV397264
F8drug treatment:OSM-S-291
F9drug treatment:OSM-S-313
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