Data for Development and Characterisation of a Novel Class of Aroyl Guanidine Containing Anti-Trypanosomal Compounds (Study ST001276)

(Analysis AN002117)

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
10-Formyldihydrofolate 0.8040 0.9758 0.7931 0.9854 0.9331 1.1611 1.0290 1.1262 1.1922
1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol 0.8698 1.0452 1.1439 1.0343 1.1360 0.7174 1.2028 1.1338 0.7167
(-)-11-hydroxy-9,10-dihydrojasmonic acid 0.6811 1.3387 1.1998 1.0272 0.9364 0.6786 1.3172 0.9071 0.9140
12-OPDA 0.8266 0.9261 0.9136 0.9330 1.4126 0.9319 1.1921 1.0396 0.8245
1,3,5-trimethoxybenzene 0.7013 1.0087 1.0304 0.9888 1.1166 0.6045 1.9022 0.8198 0.8278
1-O-Hexadecyl-sn-glycerol 0.9835 0.7352 1.0327 1.0849 1.1535 1.2127 0.7604 0.8420 1.1952
1-O-Octadec-9-enyl glycerol 0.9904 0.8262 1.0167 1.0810 1.0566 1.0936 0.8259 0.9629 1.1466
1-O-Octadecyl-sn-glycerol 1.0243 0.8475 1.0368 1.0067 1.1118 1.0656 0.8391 0.9915 1.0769
2,3,4,5-Tetrahydropyridine-2-carboxylate 1.0817 1.0101 1.0220 0.8776 0.8725 1.0754 1.0091 0.9969 1.0547
2,3-Dimethylmaleate 1.6151 1.0719 0.7874 0.9833 1.0905 0.5122 1.3416 0.8525 0.7454
2,5-Dihydroxypyridine 0.9212 1.1246 1.0706 0.8326 1.2448 0.7278 1.1901 0.9201 0.9682
2-(alpha-Hydroxyethyl)thiamine diphosphate 0.9362 0.8190 0.8612 1.0619 0.8252 1.4274 0.8378 0.8299 1.4013
2-C-Methyl-D-erythritol 4-phosphate 2.6392 1.1864 0.4177 0.9739 0.5550 0.4604 0.9733 0.7075 1.0865
2-Hexenoylcarnitine NA 1.3916 0.2169 NA NA NA NA NA NA
2-Hydroxy-2,4-pentadienoate 1.8942 1.2118 0.6900 0.8705 0.9197 0.5563 1.0962 0.9210 0.8404
2-Hydroxyethylphosphonate 0.9209 1.0401 1.0145 0.8514 0.8428 1.0509 1.0518 1.1303 1.0973
2-Methylaminoadenosine 0.8516 1.1587 1.0394 0.7704 0.7390 1.1183 0.8886 1.2360 1.1980
2-Octenedioicacid 0.7569 1.0186 1.0576 1.0321 1.4105 0.8183 1.0448 1.0250 0.8362
2-oxobut-3-enanoate 1.2649 0.7872 1.0091 0.7653 0.7557 1.4237 0.7532 1.2642 0.9768
2-Oxobutanoate 1.8419 1.2214 0.7277 0.9017 0.9588 0.5460 1.0709 0.9189 0.8127
2-Oxoglutaramate 1.2008 0.9539 0.9082 0.9318 0.7143 1.2079 0.8332 0.9678 1.2820
2-Oxoglutarate 1.1406 1.2125 1.1602 0.6412 0.6191 0.6996 1.3808 1.2877 0.8583
2-trans,6-trans-Farnesal 0.9154 0.9299 0.9485 0.9112 1.2892 0.8684 1.0691 1.1520 0.9163
3-(4-Hydroxyphenyl)lactate 1.0366 0.9903 0.7970 1.0312 0.8021 1.3498 0.8515 0.9179 1.2235
3-(4-Hydroxyphenyl)pyruvate 1.0099 0.8195 0.6594 1.2600 1.0320 1.4050 0.7605 0.7205 1.3330
3,6,8-Trimethylallantoin 0.9059 1.5081 0.9825 0.4702 0.6284 0.3480 2.3780 1.3943 0.3846
3-beta-D-Galactosyl-sn-glycerol 0.9353 0.8638 0.7546 1.0444 0.9618 1.4099 0.8333 0.8285 1.3684
3-Butynoate 1.3957 0.9315 0.7520 1.2300 0.9972 0.9057 0.8778 0.7917 1.1185
3-Dehydroquinate 1.1301 1.0616 0.9863 0.8036 0.7195 1.0957 0.9747 1.1735 1.0549
3-deoxy-D-galactose 1.5395 1.0295 0.7830 1.0081 0.9342 0.8865 0.9386 0.9990 0.8816
3-Deoxy-D-manno-octulosonate 8-phosphate 0.9068 1.2067 1.1587 0.9846 1.1157 1.1211 1.0034 0.7615 0.7280
3-Isopropylbut-3-enoic acid 0.8412 1.0640 1.0755 0.9534 1.1977 0.7694 1.1514 1.1312 0.8163
3-Methoxy-4-hydroxyphenylacetaldehyde 0.9941 0.8324 0.9335 1.2464 0.9172 1.6025 0.5488 0.8779 1.0471
3-Methyl-2-oxobutanoic acid 1.2962 0.7886 0.9730 0.9986 0.8416 1.3567 0.6895 0.7264 1.3295
3-Methylbutanoic acid 0.9436 0.9555 0.9360 0.9675 1.2559 0.9830 1.0608 0.9362 0.9616
3-Methylguanine 0.8033 0.8836 1.0941 1.0550 1.0096 1.1749 0.7539 0.9649 1.2607
3-nitro-2-pentanol 0.8179 1.0161 1.1502 0.8192 0.7683 1.1966 0.9349 1.2656 1.0312
3-Phospho-D-glycerate 0.9662 1.2835 1.2591 0.5572 0.6076 0.5929 1.3711 1.7143 0.6480
3-Propylmalate 0.6904 0.5313 0.6228 1.2892 1.2152 1.8293 0.5424 0.5125 1.7670
3-(Pyrazol-1-yl)-L-alanine 1.0825 0.9422 1.0773 0.9381 0.9573 1.0327 0.9215 0.9698 1.0785
(3R)-hydroxy-N-acetyl-(L)-arginine 0.8897 1.4834 1.0084 0.4653 0.5707 0.3236 2.4950 1.4114 0.3526
3-sulfopropanoate 0.9752 0.9538 1.0924 0.9848 1.1661 0.7595 1.1583 1.0998 0.8102
4,4^-Sulfonyldiphenol 1.1707 0.8146 1.0538 0.9007 0.9105 1.2646 0.8078 0.9483 1.1291
4-Acetamidobutanoate 0.9654 0.9633 0.9196 0.9959 1.1705 0.8551 1.1818 1.0495 0.8988
4-Aminobutanal 1.4112 1.1108 0.6572 0.9892 0.9994 0.7464 1.1111 0.9682 1.0066
4-Coumarate 1.3702 0.9861 0.8636 0.9976 0.9667 1.0999 0.7984 0.7671 1.1504
4-Hydroxybenzaldehyde 0.5436 0.8840 0.7148 1.2257 1.3080 1.0823 0.9545 0.9710 1.3161
4-Hydroxyhexan-3-one 1.0631 0.8927 1.0833 0.8637 1.2233 0.8436 1.2015 0.9534 0.8753
4-Hydroxyphenylglyoxylate 0.9025 1.0238 0.9172 1.0710 1.3314 0.7516 1.1447 1.0167 0.8411
4-Imidazolone-5-propanoate 0.8624 0.9219 0.8694 0.9547 0.8590 1.3351 0.8670 0.9603 1.3703
4-Methyl-L-glutamate 0.8527 0.8376 0.8869 1.0564 1.2597 1.1076 0.9877 0.9272 1.0840
4-Oxoproline 1.2234 0.7976 0.8079 1.0274 0.8991 1.2653 0.8363 0.8543 1.2886
4-(Trimethylammonio)but-2-enoate 1.2506 1.0006 1.0684 0.8412 0.7780 1.0945 0.9012 1.0171 1.0484
4-Trimethylammoniobutanoate 1.0096 1.0255 0.9883 0.9057 0.7657 1.2293 0.8822 0.9908 1.2028
5,6-Dihydrothymine 1.0529 0.8993 1.0267 1.0094 1.0137 1.0593 0.9166 0.8933 1.1287
5-6-Dihydrouridine 1.0315 0.9275 0.9500 0.9962 0.8500 1.1895 0.8591 0.9402 1.2558
5-Amino-4-imidazole carboxylate 0.8676 0.9460 0.9409 1.0582 1.3328 0.8129 1.1350 1.0391 0.8675
5-Aminolevulinate 0.8741 1.0335 0.9347 1.0200 0.9042 1.0003 1.0597 1.0853 1.0882
5beta-Pregnane-3alpha,17alpha,20alpha-triol 0.5310 1.0168 0.8502 0.9663 1.6663 0.7511 1.1768 1.2846 0.7569
5-exo-Hydroxy-1,2-campholide 0.9288 0.9496 1.0912 1.0545 1.2050 0.7510 1.3496 0.9598 0.7104
5-Guanidino-2-oxopentanoate 0.6947 0.8237 0.9760 1.2038 1.2754 1.0811 0.8391 0.8979 1.2083
5-Hydroxyferulate 0.6326 1.0281 1.0269 0.9263 1.2005 0.6198 1.4486 0.9829 1.1343
5-Hydroxyindoleacetylglycine 0.9380 0.8965 0.9074 0.9852 1.3778 0.8831 1.1507 0.8491 1.0122
5-Hydroxypentanoate 1.0705 0.9937 1.0860 0.7784 1.0817 0.9002 1.1794 0.8218 1.0884
5-Methylthio-D-ribose 0.7675 0.8523 0.9570 1.0465 1.3917 0.7087 1.4034 1.0572 0.8157
6-Acetamido-2-oxohexanoate 0.7384 0.9108 0.8111 1.0976 0.8571 1.3385 0.9108 0.9514 1.3843
6-Amino-2-oxohexanoate 1.0892 0.9077 0.9829 0.9516 0.9696 1.0830 0.9675 0.9297 1.1188
6-deoxy-5-ketofructose-1-phosphate 1.3634 1.2558 1.1666 0.8842 0.9106 0.6385 0.8041 1.2648 0.7119
6-Phospho-D-gluconate 1.1236 1.3180 1.4154 0.2270 0.3774 0.4259 1.8582 1.6027 0.6519
7,8-diketopelargonate 1.0368 0.9037 0.9715 0.8980 1.2374 0.6971 1.2723 1.1706 0.8127
7-Methylguanine 1.2230 1.0893 0.8069 1.0076 0.9198 1.0902 0.9476 0.9708 0.9449
8-Amino-7-oxononanoate 0.8000 1.0188 0.9938 1.0181 1.4336 0.7284 1.1762 0.9705 0.8605
9-Oxononanoic acid 0.8592 0.9321 0.9767 1.0028 1.3277 0.7817 1.2130 1.0297 0.8771
(Ac)2-L-Lys-D-Ala 1.0499 0.9410 1.0667 0.8756 0.8147 1.2005 0.8890 1.0849 1.0778
Acetoacetate 1.0758 0.8121 0.9107 0.8387 0.6434 1.9935 0.7360 0.6191 1.3708
Acetyl-CoA 1.0906 0.9576 1.1012 0.8523 0.8595 0.9766 0.9660 1.0288 1.1674
Acetyl phosphate 1.0669 1.1732 1.2690 0.7567 1.2719 0.5178 1.1231 1.2752 0.5462
a Cysteine adduct 1.4148 0.9582 0.7560 1.0495 0.8510 1.0397 0.8774 0.8268 1.2267
Adenine 1.1324 0.9102 1.0044 0.8222 0.6018 1.7074 0.7298 0.9869 1.1048
Adenosine 0.7799 0.4998 0.6811 1.0584 0.7759 2.8063 0.4870 0.5963 1.3153
(+)-Adlumine 1.6873 1.1450 0.5140 0.8719 0.5300 0.9049 0.8920 0.7910 1.2030
ADP 1.0006 0.6739 0.7109 1.1824 0.7897 1.5921 0.7119 0.5411 1.7973
Ajmaline 0.8836 0.5299 1.1677 1.1438 1.4074 0.5326 1.4392 0.7157 0.7564
Ala-Asp-Asp-Gln 0.7082 0.6183 NA 1.4021 NA 1.1601 0.6566 0.5604 1.4325
Ala-Leu-Met-Val 0.9609 0.7862 0.7850 0.7221 0.6168 2.4916 0.7567 0.8075 1.0733
Ala-Leu-Phe-Phe 0.4084 0.7813 0.8952 0.6966 3.5067 0.5509 0.8848 0.8440 0.4319
Ala-Met-Asp-Gly 1.5302 0.8705 0.6167 1.0966 0.7526 1.2158 0.7609 0.5904 1.5043
Ala-Met-Asp-Tyr 0.9181 1.0784 0.8329 1.0147 1.2249 0.7980 1.2052 1.0327 0.8949
Ala-Met-Met-Met 2.8514 1.1894 0.3778 0.8844 0.3464 0.8429 0.7135 0.4520 1.3421
Ala-Phe-Asp-Tyr 1.0300 1.0370 0.8288 1.0875 0.6354 1.1250 1.0064 0.9803 1.2696
Ala-Phe-Val-Tyr NA 0.4609 0.6602 0.5888 2.2466 0.4477 1.0251 0.6319 0.8794
Allantoin 1.4115 1.0031 0.7902 0.9494 0.7956 0.8059 1.0165 1.0014 1.2264
allylcysteine 0.9387 0.7524 0.9567 1.0537 1.0034 1.3547 0.7347 0.7812 1.4246
alpha-D-Galactosyl-N-acetyllactosamine 0.9927 1.0426 0.7590 1.0787 0.7036 1.1626 0.9147 0.9568 1.3892
alpha-Irone 0.8485 0.8810 0.9211 1.0969 1.2387 1.0028 0.8659 1.0313 1.1138
AMP 0.3684 0.2058 0.2762 1.1100 0.5133 3.4969 0.2511 0.1850 2.5933
Apiole 0.8475 0.8867 0.9476 1.0108 1.3507 0.7900 1.2610 1.0392 0.8666
Arg-Cys-Cys-Tyr 1.0000 NA NA NA NA NA NA NA NA
Arg-OEt 1.2636 1.0648 0.8133 0.9639 0.8744 1.0341 0.8872 0.9759 1.1228
Arg-Phe-Phe-Arg 0.1450 0.1726 NA 0.7518 NA 1.0606 NA NA 1.6082
Ascorbate 1.0352 0.7969 0.4781 1.1433 0.6220 1.5076 0.6654 0.6600 2.0915
Asn-Gly-Tyr-Tyr 0.7610 0.9356 0.9206 1.1589 1.4372 0.6956 1.2027 0.9042 0.9842
Asn-Val-Asn-Asn 1.2465 1.0821 0.8491 0.8896 0.8117 1.2583 0.8882 0.8865 0.8823
Asn-Val-Asn-Ser 0.8541 0.8810 0.9464 1.2000 1.1244 0.8776 1.2736 0.9067 0.9363
Asp-Cys-Cys-Ser 1.0414 0.9000 1.0619 0.8620 1.2078 0.7053 1.4542 1.0052 0.7621
Aspergillic acid 0.8484 0.8588 1.0774 1.1376 1.2327 0.7728 1.1762 1.0960 0.8000
ATP 1.1072 1.2216 1.1704 0.7574 0.7765 0.6798 1.1257 1.3278 0.8336
Bakkenolide A 0.9921 0.8468 1.0100 1.0270 1.3248 0.8648 1.0116 0.9795 0.9436
beta-D-Digitalopyranose 0.6605 0.5615 0.6809 1.3787 1.0733 1.7128 0.5821 0.5991 1.7512
Betaine 1.1334 0.9678 1.1498 0.8738 0.8232 1.0583 0.9164 1.0095 1.0679
Bis(2-ethylhexyl)phthalate 0.9735 1.0034 0.9243 0.8889 0.8011 1.3083 0.9348 0.9952 1.1706
Butanoic acid 0.8276 0.8859 0.8843 1.0070 1.3127 1.0925 1.0540 0.9728 0.9632
Butanoylphosphate 1.0279 1.0652 0.9539 0.8931 0.8503 1.0704 1.0162 1.1216 1.0015
Butenylcarnitine 0.9451 1.0271 0.9694 0.7320 1.4900 0.7229 1.1398 1.3662 0.6075
Caproylcholine 0.1354 1.2426 0.1739 1.0565 1.2180 1.1287 1.0019 1.1744 1.2299
Capryloylglycine 1.0333 0.8879 0.9632 1.0549 1.3516 0.7517 1.1238 0.9723 0.8613
CAPS 0.8729 0.9364 0.9537 1.0323 1.2583 0.7859 1.2491 1.0421 0.8693
Carbamoyl phosphate 0.7978 0.9195 1.2611 0.7066 1.4994 0.7832 1.0668 1.3103 0.6553
Carnosine 1.4451 1.1600 0.7461 0.9808 0.7272 0.9925 0.9482 0.8094 1.1906
CDP 1.0332 0.8673 0.9101 1.0319 0.8414 1.0733 1.1466 0.6942 1.4020
CDP-choline 0.8968 0.6882 0.8087 1.0275 0.8131 1.5770 0.7252 0.8043 1.6591
CDP-ethanolamine 1.0925 0.9555 1.0885 0.7232 0.6822 1.0614 1.1899 1.0057 1.2012
Cer(d34:2)) 0.8351 0.9727 1.0171 0.9287 1.1042 0.7339 1.1266 1.4606 0.8211
Cer(d36:1) 0.7712 0.9491 1.1662 0.8965 1.4413 0.5418 1.2315 1.3343 0.5574
CHAPS 0.8441 0.9419 0.9665 1.0239 1.3233 0.8182 1.1832 1.0293 0.8697
Chenodeoxyglycocholate 1.2092 1.0468 0.7838 0.9417 1.1438 0.8851 0.9312 0.8871 1.1712
Chitobiose 1.0634 0.8302 0.5243 1.4518 0.9360 1.0535 0.9750 0.7189 1.4469
Cholesterolsulfate 0.9512 1.1684 0.9230 1.0555 0.7333 1.0181 1.0021 1.1914 0.9570
Choline 0.7224 1.4846 0.7306 0.8743 0.7251 1.0106 1.0641 1.4665 0.9218
Choline phosphate 1.0521 0.9222 1.0672 0.9427 0.8391 1.1106 0.9257 0.9970 1.1434
Cinnamic acid NA 0.9764 0.4794 1.2652 1.5234 0.5996 0.6130 1.4724 1.0354
cis-Aconitate 1.5866 1.0646 0.8938 0.9058 0.8995 0.8843 0.9026 0.8424 1.0204
cis-(homo)3aconitate 0.8831 0.9200 0.7515 1.1048 0.9523 1.2230 0.8706 1.0741 1.2206
Citrate 1.2911 1.0245 1.0344 0.8904 0.9656 0.7857 1.0491 1.0137 0.9455
CMP 0.7848 0.6110 0.6034 1.0479 0.7608 2.1375 0.6091 0.5773 1.8683
CMP-2-aminoethylphosphonate 1.2096 0.9037 1.0649 0.8990 0.7107 1.3584 0.6929 0.9193 1.2416
CMP-N-trimethyl-2-aminoethylphosphonate 1.0312 0.9413 0.9527 1.0277 0.8164 1.1832 0.9192 0.9396 1.1888
CoA 1.2348 1.5328 1.2205 0.5136 0.6702 0.5078 1.1511 1.5765 0.5927
Creatine 1.0893 0.9073 1.0092 0.9721 0.9016 1.1074 0.8638 1.0141 1.1351
Creatinine 1.6982 1.1980 0.6756 0.9256 0.8638 0.8449 1.0161 0.8480 0.9298
CTP 1.0558 1.5360 1.2166 0.5105 0.6535 0.4193 1.4942 1.5846 0.5294
Cyclic ADP-ribose 0.8799 0.9921 0.8799 1.0045 0.7896 1.2676 0.9019 0.9894 1.2949
Cys-Leu-Cys-Tyr 0.9471 1.0629 0.8138 0.9815 1.2081 0.8356 1.2532 1.0064 0.8913
Cys-Ser 1.0518 0.9144 1.0493 0.9085 0.8622 1.1760 0.8793 1.0181 1.1403
CysteineMercaptoethanol disulfide 1.7962 1.1906 0.6099 0.9368 0.9805 0.5706 1.1794 0.8812 0.8548
Cytidine 1.2035 1.0071 0.8287 0.9181 0.9456 1.0760 0.9364 0.8764 1.2082
dADP 0.8956 0.7388 0.8103 1.1072 0.8202 1.7129 0.7267 0.4942 1.6940
Daminozide 1.0367 0.7853 0.9305 0.8629 0.5727 1.9804 0.7495 0.7191 1.3630
dAMP 0.2966 NA NA 0.6046 NA 1.4205 NA NA 1.1507
D-Arabitol 1.4755 1.1172 0.7353 0.9806 0.9930 0.9013 0.9454 0.8425 1.0093
dATP 1.0287 1.2228 1.0969 0.8492 0.7741 0.8465 0.9240 1.2306 1.0271
dCTP 1.1764 1.4564 1.2582 0.6722 0.7407 0.5768 1.0380 1.4323 0.6488
decanamide 1.0146 0.8835 1.2309 1.1956 0.9549 0.6996 1.4091 0.9848 0.6271
Decanoic acid 1.0261 0.9441 1.4221 0.6869 0.9969 0.7505 1.4261 1.0362 0.7110
Deoxyadenosine 1.1757 1.1840 1.4011 0.5719 0.2007 0.7732 1.1339 1.5155 0.6445
Deoxymannojirimycin 0.9041 0.6723 1.0866 1.1899 0.8675 1.2236 0.8428 1.3319 0.9644
Deoxyribose 0.6237 0.7850 0.6204 1.2469 1.0455 1.7224 0.5919 0.8447 1.5196
D-Erythrose 1.2024 0.8617 0.8223 0.9446 1.0681 1.1354 1.0395 0.8351 1.0909
Dethiobiotin 0.9305 0.8019 1.0266 0.9393 0.9675 1.2141 0.7468 1.0271 1.3460
D-Fructose 1.2643 1.0008 0.8993 0.9760 1.2002 0.7936 0.9841 1.0027 0.8790
D-Fructose 6-phosphate 1.2987 1.2705 1.2476 0.8125 0.9423 0.6689 0.7890 1.2738 0.6967
dGDP 1.1480 1.2224 1.2308 0.7313 0.7370 0.7438 1.0335 1.2980 0.8550
D-Gluconic acid 0.9297 1.0311 0.8417 1.0780 0.7347 1.1013 1.0327 0.9737 1.2770
D-Glucono-1,5-lactone 0.9016 0.7604 0.5390 1.2720 0.6537 1.5207 0.7059 0.6349 2.0118
D-Glucono-1,5-lactone 6-phosphate 1.1032 1.3897 1.4016 0.2146 0.3880 0.3838 1.8008 1.6778 0.6405
D-Glucose 1.7609 1.2274 0.7252 0.9226 0.9466 0.5707 1.1045 0.9005 0.8417
D-Glucose 6-phosphate 1.3393 1.3833 1.3779 0.6560 0.8650 0.4836 0.9121 1.4442 0.5386
D-Glycerate 0.8926 0.9630 0.9218 0.8741 0.8032 1.1952 1.0108 1.0681 1.2712
dGMP 0.9235 0.7192 0.7459 1.1301 0.7875 1.7206 0.6802 0.5829 1.7100
Diethyl adipate 0.9616 1.0194 1.0488 0.9323 1.1916 0.8910 1.2130 0.9049 0.8374
Dihydrobiopterin 2.0012 1.1982 0.5803 0.8967 0.8893 0.6266 1.0333 0.7944 0.9800
Dihydrogenphosphate 1.0136 1.1971 0.7536 1.0795 0.6750 0.8950 1.3473 0.9565 1.0825
Dihydroneopterin phosphate 1.0925 0.6424 1.0333 0.8722 NA 0.9657 NA 0.4462 1.4680
DL-Methionine sulfone 1.1365 0.8782 1.0634 0.9122 0.8567 1.1524 0.8489 0.9073 1.2446
D-Lysine 0.9230 1.5137 0.8866 0.4861 0.6683 0.3865 2.1228 1.5497 0.4632
D-myo-Inositol 1,2-cyclic phosphate 0.9667 0.9485 0.9629 0.9526 0.8493 1.1977 0.9322 0.9936 1.1965
Docosahexaenoicacid 0.9275 0.7629 0.6594 1.1091 0.9501 1.6721 0.7421 0.9368 1.2399
Docosanoic acid 0.8238 0.7734 1.0527 0.9729 0.9741 1.0178 1.2634 1.1424 0.9796
Dodecanoic acid 0.5712 0.4286 1.1575 0.6701 1.0086 1.0415 1.8830 1.0495 1.1900
Dopamine 0.8956 0.8971 0.9122 0.9302 1.4128 0.7574 1.2319 1.0576 0.9052
D-Ribose 1.7267 1.1708 0.7441 0.9660 0.9212 0.6471 0.9899 0.9114 0.9228
D-Ribose 5-phosphate 1.3531 0.9290 1.0126 0.9954 0.7455 1.2794 0.5681 0.7081 1.4088
D-Sedoheptulose 7-phosphate 0.9914 0.9901 0.8967 1.1284 1.1827 1.0689 0.7179 0.9370 1.0869
dTDP 0.8755 0.5793 0.5805 1.0936 0.7336 2.0773 0.6547 0.4971 1.9083
dTTP 1.1007 1.1446 0.9777 0.8410 0.7377 0.8686 0.9988 1.2817 1.0491
D-Xylonate 1.3240 1.1790 0.6926 1.0164 0.8734 0.7363 1.0868 1.0306 1.0608
D-Xylonolactone 0.9070 0.9938 0.6522 1.4614 0.8025 1.4377 0.5310 0.7938 1.4205
Ectoine 1.0610 0.8519 1.1101 0.9095 0.8771 1.0663 1.0630 0.9869 1.0742
Embelin 0.8906 0.9331 0.9389 1.0117 1.3913 0.7849 1.1652 1.0475 0.8368
ethyl-(2R)-methyl-(3S)-hydroxybutanoate 0.8533 0.8048 1.0390 1.0852 1.2931 0.9495 1.1112 0.9238 0.9400
Ethyl (R)-3-hydroxybutanoate 0.7936 0.5132 0.7479 1.8148 1.1745 1.8030 0.3584 0.5156 1.2790
Ethyl (R)-3-hydroxyhexanoate 0.9360 0.9697 0.9410 0.9093 1.3204 0.7912 1.2345 1.1365 0.7614
[FA (11:0)] undecanoic acid 1.0190 0.9385 1.2700 0.8373 1.0541 0.8166 1.3083 1.0529 0.7034
FA (12:1) dodecenoic acid 0.9318 0.9714 1.0265 0.8587 1.4828 0.7818 1.2564 1.0232 0.6673
FA (14:1) tetradecenoic acid 0.7387 0.7678 1.0490 0.7852 1.2351 1.0987 1.6601 0.6141 1.0512
FA(16:1) 0.8245 0.8021 0.7441 0.9863 0.9148 1.8166 0.8511 0.8352 1.2251
FA (17:0) 0.8378 0.7766 0.9760 0.9059 0.9665 1.2778 1.1282 1.0761 1.0550
[FA (17:1)] 7-heptadecynoic acid 0.5891 0.5370 0.6590 0.6208 0.7173 2.3018 0.5784 0.7078 1.2406
FA (18:1) 0.8496 0.8169 0.8904 1.0981 1.4066 0.8391 1.1677 1.0992 0.8323
[FA (18:1)] 9R,10S-epoxy-12Z-octadecenoic acid 0.6651 0.7059 0.9596 0.8423 1.1090 1.2498 1.2036 1.1031 1.1616
[FA (18:1)] 9Z-octadecenamide 0.9187 0.7546 1.1150 1.0987 1.4463 0.6844 1.2802 0.9226 0.7794
[FA (18:1)] 9Z-octadecenoic acid 0.7558 0.7676 0.7536 0.9609 1.1064 1.5658 0.9182 0.9266 1.2452
[FA (18:2)] 3Z,13Z-octadecadien-1-ol 0.9582 0.7703 0.9795 0.9993 1.1830 1.2538 0.5751 1.0081 1.2728
[FA (18:3)] 6Z,9Z,12Z-octadecatrienoic acid 0.5762 0.4492 0.6255 0.7750 1.2427 1.8367 1.0903 0.8800 1.5244
FA (20:0) 0.7919 0.6905 1.0164 0.8663 1.0633 1.0553 1.2923 1.0727 1.1514
[FA (20:1)] 11Z-eicosenoic acid 0.8222 0.7852 0.7985 1.0573 1.0321 1.5204 0.7759 0.9331 1.2752
FA (20:4) 0.9432 0.9937 0.7243 0.7781 0.6059 2.1873 0.8407 1.0040 0.9229
[FA (22:1)] 13Z-docosenoic acid 1.2318 0.8037 0.9261 0.9353 1.1112 1.0287 1.1340 0.8537 0.9755
[FA (22:4)] 7Z,10Z,13Z,16Z-docosatetraenoic acid 0.8035 0.8366 0.7320 1.0346 0.9093 1.8240 0.6958 0.9334 1.2307
[FA (22:5)] 7Z,10Z,13Z,16Z,19Z-docosapentaenoic acid 0.8900 0.8791 0.6818 1.0073 0.8749 1.7755 0.7068 1.0179 1.1666
FA (8:0) octanoic acid 1.0437 0.8926 1.2914 0.7748 1.1207 0.8140 1.3388 0.9413 0.7828
FA (8:1) 0.9263 0.9174 1.2105 0.8472 1.2946 0.8365 1.2438 0.9209 0.8029
FAD 1.0035 0.9204 0.9632 0.9174 0.7789 1.2475 0.8641 1.0423 1.2627
FA dimethyl(16:0) 0.8642 0.9228 0.9695 0.9908 1.3841 0.7708 1.1859 1.0676 0.8444
FA dioxo(10:0) 0.9229 1.0228 1.0277 0.9028 1.3074 0.7830 1.1560 0.9908 0.8866
FA ethyl(6:0) 0.8870 0.9140 0.9663 1.0220 1.3384 0.7572 1.1961 1.0357 0.8832
FA hydroxy(10:0) 0.8148 0.8421 0.8959 0.9208 1.5036 0.7483 1.2652 1.0886 0.9206
[FA hydroxy(11:2/11:2)] 2R,9R-dihydroxy-3S,4S,7S,8S-diepoxy-5E,10-undecadien-1-ol 0.9564 1.1130 0.8558 1.0961 1.1711 0.7368 1.3184 0.9238 0.8287
FA hydroxy(16:0)] hexadecanoic acid 0.9429 0.9951 1.0301 0.9723 1.0777 0.9645 1.1062 0.9689 0.9424
FA hydroxy(18:0) 0.7438 0.9359 1.0568 0.9686 1.3402 0.9460 0.9809 0.9982 1.0297
FA hydroxy(6:0) 0.6514 0.6302 0.7422 1.5105 1.0183 2.0729 0.4060 0.5323 1.4363
FA hydroxy(8:0) hydroxy-octanoic acid 0.5873 0.8999 1.0231 1.0809 1.3048 0.9516 1.2129 1.0177 0.9217
FA hydroxy(9:0) hydroxy-nonanoic acid 0.8690 0.7819 0.8679 1.0599 1.3121 0.9651 1.2249 1.1125 0.8067
FA methyl(12:0) dodecanoic acid 0.8413 0.8539 1.2373 0.9237 1.1423 0.9076 1.2471 0.9435 0.9033
FA methyl(14:0) 0.8189 0.7871 1.0651 0.9320 0.9990 1.2339 1.1896 0.9375 1.0370
FA methyl(16:1) 0.8088 0.7872 0.7701 1.0201 0.9092 1.7588 0.9349 0.8093 1.2015
FA methyl(18:0) 0.8944 0.7742 0.9905 0.9926 1.0255 1.1862 1.0475 0.9570 1.1321
FA methyl(6:0) 1.0709 0.9047 1.1848 0.8507 1.1659 0.7862 1.2238 0.9376 0.8754
FA methyl(8:0) 1.1245 1.0755 1.4941 0.7566 0.8182 0.7420 1.3622 0.9437 0.6831
FA methyl (8:1) 0.9772 0.8333 1.2515 0.8075 1.2072 0.7124 1.3463 0.9529 0.9117
FA oxo(12:1) 1.0865 0.7594 1.2353 1.0696 1.1906 1.0213 0.7989 0.7967 1.0418
FA oxo(16:0) 0.7451 0.8278 1.0202 1.0008 1.1709 0.9692 1.1667 1.0820 1.0173
FA oxo(18:0) 0.7960 0.7892 0.9616 0.9193 1.1938 0.9860 1.1873 1.0659 1.1009
FA oxo(8:0) oxo-octanoic acid 0.9602 0.8480 0.9026 0.8574 1.4695 0.7638 1.1335 1.1444 0.9206
[FA oxo(8:1)] 5-oxo-7-octenoic acid 0.8983 0.9629 1.0701 1.2082 1.2364 0.5850 1.2959 0.9905 0.7529
FA oxo(9:0) oxo-nonanoic acid 0.9634 0.7533 1.0767 1.2718 1.2212 0.7971 1.1531 0.7951 0.9683
[FA oxo,methyl(4:0)] 2-oxo-4-methylthio-butanoic acid 1.5049 0.5138 0.9529 1.0958 0.8746 1.0505 0.6852 0.6667 1.3332
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic acid 1.4758 1.1092 0.7467 0.9159 0.8011 0.9833 0.9385 0.8765 1.1531
Ferulate 0.8938 0.9149 0.9561 1.0326 1.3895 0.7882 1.1811 0.9637 0.8801
FMN 1.0418 0.9364 1.0157 0.9062 0.7647 1.1932 0.8772 1.0353 1.2295
Formylmethionyl-leucyl-phenylalanine methyl ester 0.5988 0.5148 0.4675 0.5876 NA 1.6454 NA NA 1.1344
Fructosamine 1.3583 1.0371 0.7172 1.2056 1.0196 0.9042 0.9222 0.7729 1.0628
Furfural 0.9949 0.5739 0.6824 1.0842 0.7864 1.9488 0.5847 0.6307 1.7141
Furfural diethyl acetal 0.8788 0.7697 1.1987 1.1580 1.3289 0.9105 1.1516 0.8879 0.7160
gamma-Glutamyl-gamma-aminobutyraldehyde 0.9916 0.8521 0.9905 0.9042 0.8932 1.4571 0.7120 0.7877 1.4115
GDP 1.0152 0.8093 0.9122 0.9958 0.8611 1.2865 0.8926 0.8183 1.4089
GDP-mannose 0.8722 0.7905 0.9701 1.0183 0.9066 1.3015 0.8900 0.8839 1.3669
Gentioflavine 1.7813 1.2090 0.5800 0.8798 0.6626 0.7905 1.1642 0.9284 1.0042
[GL (22:5/16:0)] 1-(5Z,8Z,11Z,14Z,17Z-docosapentaenoyl)-2-(13Z-hexadecenoyl)-3-(6^-sulfo-alpha-D-quinovosyl)-sn-glycerol 0.7927 0.8887 0.8769 0.7678 1.8540 0.5945 1.1246 1.3028 0.7401
Glucosylgalactosylhydroxylysine 1.1973 1.0429 0.7381 1.1206 0.6063 1.1437 0.9544 0.5995 1.3347
Glu-Glu 1.0169 1.1229 1.0716 0.8330 0.6478 1.0362 0.9788 1.2577 1.0350
Glu-Glu-Glu 0.9987 1.1177 1.0655 0.7103 0.4984 1.1833 0.8608 1.2945 1.2709
Glu-Glu-Lys 1.0144 0.7988 0.8581 0.7700 1.4303 0.8462 0.9719 1.3732 0.9371
Glu-Met-Met-Met 1.8748 1.2360 0.6927 0.8118 0.5846 0.6898 1.0368 0.9320 1.1415
Glu-Met-Met-Thr NA NA NA NA NA NA NA NA NA
Glu-Ser-Thr 0.9275 0.9223 0.8707 0.9968 0.7700 1.3449 0.8355 0.9077 1.4246
Glutarimide 0.7956 1.6429 0.8932 0.5155 0.6608 0.4168 1.8965 1.7178 0.4609
Glutathione 1.3010 0.7771 1.0569 0.7076 0.4397 1.7536 0.5812 0.8043 1.5786
Glycerol 0.7409 0.5927 0.4725 1.5986 1.2444 1.6704 0.6033 0.3997 1.6775
Glycerone phosphate 1.5941 1.0360 1.3106 0.7137 0.9533 0.9587 0.8326 0.9113 0.6897
Glycerophosphoglycerol 0.9981 0.8695 0.9345 0.9600 0.7726 1.4046 0.8083 0.8880 1.3644
glycerophosphoserine 1.0231 1.0519 0.9164 0.9003 0.7028 1.1632 0.9462 1.0580 1.2379
GMP 0.6117 0.3722 0.5229 0.8575 0.5166 2.9452 0.5222 0.3543 2.2974
GTP 1.0935 0.9904 1.2818 0.7771 0.8365 0.7314 1.2141 1.1610 0.9141
Guanidinoacetate 1.1466 0.9126 0.8704 0.9388 1.0372 1.0282 0.9229 0.9631 1.1801
Guanine 1.2415 0.4200 0.8269 0.7867 0.5710 2.3999 0.4380 0.4754 1.8405
HEPES 1.8074 1.1963 0.5886 0.9704 0.9196 0.6668 1.0922 0.8136 0.9451
Hexadecanal 1.0121 0.7252 0.9603 1.1330 1.1306 1.2577 0.7320 0.7743 1.2748
Hexadecanoic acid 0.7146 0.6677 1.0048 0.9021 1.0512 1.1423 1.2397 1.1522 1.1254
Hexadecasphinganine 1.4933 1.1154 1.9269 0.6079 0.6611 0.7399 1.0313 0.7368 0.6873
Homoarginine 0.7901 0.8681 0.6860 1.2570 0.9635 1.5004 0.5345 0.9157 1.4847
Homostachydrine 1.0644 0.9398 0.9749 1.0040 0.9006 1.1170 0.8595 1.0027 1.1372
Hydroxyacetone phosphate 0.9994 1.0173 1.0039 0.8577 0.9181 1.0272 1.0061 1.1233 1.0470
Hydroxymethylphosphonate 0.9942 0.8666 1.0768 0.7767 0.6532 1.9574 0.8577 1.0268 0.7907
Hypotaurine 1.3696 1.1586 0.8688 0.9373 0.7724 0.9355 0.9765 0.8802 1.1011
Hypoxanthine 2.1399 1.1932 1.1460 0.6007 0.6364 0.4136 1.0498 1.2026 0.6177
Ibuprofenacylglucuronide 0.8749 0.9509 0.8454 1.0957 1.1489 0.9225 1.3673 0.9445 0.8499
Icosadienoic acid 0.8555 0.8851 0.6074 1.1214 0.9622 1.7406 0.5728 0.9125 1.3425
Ile-Ala 1.0716 0.8215 0.6977 1.1715 0.7996 1.5412 0.7801 0.6151 1.5017
Ile-Arg 0.6073 0.3955 0.4715 1.2132 0.5833 3.0284 0.4520 0.5711 1.4038
Ile-Gly-Met 1.0363 0.5010 0.7160 0.8143 0.4379 2.7525 0.4797 0.5208 1.6115
Ile-Ile-Ile-Val 0.8587 1.0094 0.8785 1.0748 1.1737 0.8318 1.2761 1.0142 0.8829
Ile-Lys-Lys-Ser 0.5941 0.5650 0.5256 0.6307 0.4882 4.2480 0.4746 0.5690 0.9049
Ile-Phe-Pro-Pro 0.4271 0.8611 0.9167 0.5928 3.3252 0.4937 0.9966 0.9312 0.4556
Ile-Thr NA NA NA NA NA 1.0000 NA NA NA
Ile-Val 0.9389 0.9293 0.9329 1.0245 1.2565 0.7568 1.3204 0.9921 0.8485
Imidazol-5-yl-pyruvate 0.7789 0.8403 1.1965 1.0915 0.9074 1.1839 0.8171 0.9313 1.2531
Imidazole-4-acetate 0.8614 0.9929 1.3508 0.8192 0.8850 0.9476 0.8336 1.2962 1.0133
IMP 0.6847 0.9869 0.6120 1.2465 0.7223 1.8534 0.6684 0.8046 1.4212
Indolelactate 1.1923 0.8126 0.9398 1.1149 0.9683 1.5024 0.6261 0.7146 1.1290
Indolepyruvate 1.5250 0.9306 0.8243 0.9873 0.9886 1.0955 0.7721 0.7284 1.1482
Iridodial 0.9727 1.0392 0.9339 0.9603 1.2672 0.8093 1.3093 1.0713 0.6369
Isovalerylglutamicacid 1.1375 0.9106 0.8127 0.9295 1.1838 0.9832 0.8636 0.9950 1.1840
L-1-Pyrroline-3-hydroxy-5-carboxylate 1.3209 0.9744 0.7588 1.0128 0.8840 1.0924 0.8679 0.8569 1.2320
L-2-Amino-6-oxoheptanedioate 0.7954 1.7602 0.8828 0.3793 0.4653 0.3136 2.1582 1.9153 0.3297
L-3-Amino-isobutanoate 1.0902 0.9490 1.0471 0.9479 0.9336 1.0127 1.0375 0.9629 1.0192
L-4-Hydroxyglutamate semialdehyde 0.9456 0.9256 1.0307 0.9370 0.9588 1.1920 0.8632 0.9504 1.1968
Lacto-N-tetraose 0.9570 1.0498 0.8849 0.9015 0.6335 1.2746 1.0964 0.9615 1.2408
L-Alanine 0.9008 0.9804 0.9078 1.0071 0.9653 1.0237 1.0578 1.1125 1.0446
L-Arginine 0.9946 0.9261 1.0039 0.9929 0.9341 1.1192 0.9668 0.8829 1.1795
L-Asparagine 0.9467 1.0281 0.8870 0.9915 0.7860 1.1249 1.0078 1.0277 1.2004
L-Aspartate 1.7434 0.5819 1.4738 0.5598 0.3384 1.0964 1.0242 0.6266 1.5555
L-Carnitine 0.9107 0.6729 0.6757 1.1629 0.9422 1.7106 0.7863 0.4928 1.6459
L-Citrulline 1.1655 0.9180 0.9860 0.9414 0.8863 1.1013 0.8859 0.9104 1.2052
L-Cystathionine 0.7258 0.7887 0.8217 1.1278 1.0234 1.3034 0.9606 0.8958 1.3529
L-Cystine 0.6214 0.7077 0.5387 1.2992 3.0016 0.2677 1.5106 0.6858 0.3673
L-Glutamate 1.1342 1.5377 0.9462 0.6198 0.4322 0.6217 1.3685 1.5016 0.8381
L-Glutamine 1.2629 0.9210 1.3292 0.8685 0.8987 0.8838 0.8976 1.0031 0.9352
L-Histidine 1.2897 0.9807 0.9565 1.0803 0.6911 1.0880 0.8753 0.8090 1.2293
L-Homocitrulline 0.9586 0.9139 1.0059 1.0166 0.9895 1.0749 0.9104 0.9443 1.1859
L-isoleucyl-L-proline 0.9084 0.8978 0.8348 1.1144 1.2865 0.8172 1.2506 0.9362 0.9541
L-Leucine 1.2992 0.9467 1.0428 0.9479 0.9562 1.1307 0.7544 0.9215 1.0005
L-Lysine 1.3051 0.7189 1.0144 1.0587 0.9597 1.3348 0.5491 0.6715 1.3878
L-Methionine 1.4879 0.9541 1.2585 0.8580 0.8693 1.0090 0.6918 0.8881 0.9833
L-Ornithine 1.0368 0.9194 0.9827 0.9209 0.9438 1.1737 0.8635 0.9365 1.2229
L-Phenylalanine 1.3889 1.0888 1.2524 0.7746 0.7342 1.0709 0.7858 1.0484 0.8560
L-Pipecolate 0.9689 1.0043 1.0037 0.9485 0.9134 1.1320 0.8689 0.9783 1.1820
L-Proline 0.9497 1.1049 0.9664 0.8773 0.8441 1.0215 1.0138 1.2158 1.0065
L-Serine 0.9842 1.0183 0.8809 0.9804 0.7995 1.0540 1.0218 1.0866 1.1742
L-Threonine 0.9181 1.1308 0.9551 0.9797 0.8445 0.9568 1.0160 1.1850 1.0141
L-Tryptophan 1.2491 1.0659 1.0850 0.8648 0.7871 1.1453 0.8292 0.9559 1.0176
L-Tyrosine 1.2825 1.1456 0.7986 0.9651 0.7623 1.1316 0.8608 0.9935 1.0601
L-Valine 1.2220 0.9479 1.0315 0.9633 1.0589 1.0863 0.7969 0.8460 1.0472
[LysoPC(14:0)] 1-tetradecanoyl-sn-glycero-3-phosphocholine 1.1289 1.3281 0.9007 0.8200 0.4409 1.3200 1.0548 1.0933 0.9133
LysoPC(16:0) 1.2103 1.2629 0.8762 0.8793 0.5124 1.1358 0.9530 1.1035 1.0667
LysoPC(16:1(9Z)) 1.0400 1.1671 0.8900 0.8196 0.5109 1.6393 0.9948 1.0219 0.9164
[LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocholine 1.1519 0.9737 0.8991 1.1275 0.7719 1.2506 0.6030 1.0500 1.1724
LysoPC(18:0) 1.2937 1.1925 1.0862 0.8660 0.5052 1.0661 0.8765 1.1236 0.9903
LysoPC(18:1) 1.1695 1.1657 0.8891 0.7950 0.5094 1.5559 0.9749 1.0617 0.8787
LysoPC(22:4(7Z,10Z,13Z,16Z)) 1.1027 0.9698 0.8976 0.7981 0.5522 1.9889 0.8997 0.9255 0.8654
LysoPC(22:5) 1.0704 0.9726 0.8590 0.7755 0.5745 2.1329 0.8899 0.8685 0.8567
LysoPC(O-16:1) 1.1512 0.7152 1.0024 1.1591 0.8877 1.3372 0.7022 0.7270 1.3179
LysoPC(O-18:2) 1.1591 0.9269 1.1313 1.0752 0.7429 1.0684 0.6700 1.0240 1.2023
LysoPE(18:0) 1.2528 1.2087 0.9258 0.8699 0.4843 1.1161 1.0083 1.0969 1.0373
LysoPE(18:1) 1.0848 0.7922 1.0361 1.0555 1.0174 1.1164 0.8461 0.8150 1.2365
LysoPE(18:2) 1.0540 0.9684 0.9066 0.9568 0.8059 1.4020 0.8857 0.9374 1.0831
LysoPE(20:0) 1.2353 1.2530 0.9578 0.8326 0.6652 1.0411 0.8411 1.1539 1.0200
LysoPE(20:1) 1.1201 1.2139 0.8307 0.7469 0.6537 1.6085 0.9342 1.0814 0.8105
LysoPE(20:2) 1.1504 0.8891 0.9106 0.8732 0.3751 1.9582 0.8290 1.0802 0.9342
LysoPE(22:6) 0.9993 0.9580 0.8054 0.9623 1.0158 1.4691 0.7906 0.9563 1.0432
Maleamate 0.9024 0.7117 0.7352 1.0043 0.8781 1.5021 0.9248 0.7868 1.5547
Mannitol 1.3321 1.1668 0.9318 0.9587 0.9926 0.8118 0.9906 1.0073 0.8083
Margaroyl-EA 0.3445 1.3075 1.0816 0.7367 1.6794 0.6283 1.5345 1.1990 0.4886
Margaroylglycine 0.4006 0.8981 1.1840 1.2538 1.7706 1.0153 0.6525 1.1006 0.7245
methiin 1.3663 1.1202 0.6688 1.0812 1.0412 0.8283 1.0779 0.8992 0.9170
Methyl cinnamate 0.4360 0.9073 0.7667 1.1595 1.3371 0.8370 1.4952 1.0640 0.9973
Methylimidazoleacetic acid 1.1698 1.0920 0.9633 0.8803 0.8938 0.9579 1.0150 0.9652 1.0628
Met-Ser 1.3575 0.9124 0.8078 0.9614 1.1725 0.8575 1.1072 0.9814 0.8423
Muramic acid 2.4914 1.4816 0.6765 0.5809 0.4178 0.6026 0.8728 0.9344 0.9421
myo-Inositol 1.3770 0.8404 1.0118 1.0605 1.0324 0.9450 0.8687 0.8165 1.0476
N-(11Z,14Z-eicosadienoyl)-ethanolamine 1.4898 0.8729 0.5301 NA NA NA NA NA 0.4890
N-(11Z-eicosaenoyl)-ethanolamine 1.5072 1.1534 0.4394 NA 0.3833 0.2354 NA NA 0.2996
N2-Acetyl-L-aminoadipate 1.0481 0.8080 1.0156 1.0015 0.9118 1.2529 0.8217 0.8508 1.2897
N2-Acetyl-L-aminoadipyl-delta-phosphate 1.0299 0.9417 0.9540 0.9833 0.8026 1.2628 0.7694 0.9793 1.2771
N2-(D-1-Carboxyethyl)-L-arginine 0.8149 0.6916 0.8018 1.1990 1.0804 1.5309 0.6591 0.8165 1.4058
N-(2-hydroxy-docosanoyl)-1-beta-glucosyl-tetradecasphing-4-enine 0.8357 0.9911 0.9660 1.0506 1.2795 0.7487 1.2008 1.1322 0.7954
N-(2-hydroxy-tetracosanoyl)-1-beta-glucosyl-tetradecasphing-4-enine 0.7563 1.0418 0.9872 0.9743 1.5104 0.6537 1.3318 1.1856 0.5589
N4-Acetylaminobutanal 1.1158 0.8776 1.0482 1.0093 0.9341 1.1827 0.6882 0.8780 1.2662
N5-acetyl-N5-hydroxy-L-ornithine 1.0655 1.3403 1.0062 0.5470 0.6050 0.4723 1.9911 1.5007 0.4719
N6-(1,2-Dicarboxyethyl)-AMP 1.2497 0.9937 1.2060 0.6233 0.5614 1.2898 0.7959 0.9124 1.3678
N6-Acetyl-L-lysine 0.7962 0.7584 0.8490 1.0744 1.0412 1.3346 0.8601 0.8387 1.4475
N6-Acetyl-N6-hydroxy-L-lysine 0.6680 0.7763 0.7054 1.1711 1.1855 1.4764 0.7342 0.8189 1.4640
N6-Methyl-L-lysine 1.1376 0.8599 0.9824 0.9067 0.7987 1.3264 0.7428 0.8811 1.3645
N6,N6,N6-Trimethyl-L-lysine 1.0886 0.9058 1.0749 0.8898 0.8181 1.2127 0.8303 0.9303 1.2495
N-Acetylanthranilate 1.6590 1.1158 0.6929 0.9768 0.8352 0.8336 0.8921 0.9188 1.0758
N-Acetyl-D-glucosamine 1.1225 0.8077 1.0138 0.9693 0.8759 1.2091 0.8768 0.8810 1.2439
N-Acetyl-D-glucosamine 6-phosphate 0.9970 0.9554 0.9184 1.0158 0.8588 1.2600 0.7495 0.9528 1.2923
N-acetyl -D- glucosaminitol 0.9414 0.6768 0.6680 1.2540 0.9799 1.5275 0.8403 0.5222 1.5900
N-Acetylglutamine 0.8590 0.8320 1.3093 1.0669 0.7270 1.1896 0.8791 1.3000 0.8371
N-Acetyl-L-glutamate 5-semialdehyde 0.8003 1.9438 0.8301 0.3284 0.4299 0.3681 1.9654 2.0192 0.3148
N-Acetyl-L-histidine 1.6063 1.1869 0.6426 0.9051 0.9015 0.8124 0.9812 0.9566 1.0073
N-Acetylmethionine 0.6899 1.3700 0.9403 0.5261 0.8729 1.2040 0.8681 1.3780 0.9369
N-Acetylornithine 0.8426 0.9010 0.8314 0.9525 0.8474 1.4206 0.8854 0.9210 1.3981
N-Acetylputrescine 0.7925 1.0717 0.7886 0.9568 0.8794 1.2211 1.0157 1.1682 1.1060
NAD+ 0.8781 0.9639 0.8532 1.0781 0.8403 1.1921 0.9332 0.9961 1.2650
NADH 1.0250 1.0828 0.6996 0.9956 0.7216 1.1816 0.8848 0.8901 1.5189
NADP+ 0.8281 0.8554 0.8781 1.3921 1.0248 1.4477 0.7013 0.9017 0.9707
NADPH 1.2252 1.0856 1.1952 0.5549 0.7340 0.6417 1.3192 1.1565 1.0877
Nalpha-Methylhistidine 1.1289 0.8132 1.0881 1.0154 0.9609 1.1364 0.7754 0.8648 1.2168
N-Butyryl-L-homoserine lactone 0.7300 0.9603 1.0484 0.9645 1.1465 0.7306 1.3486 0.9590 1.1121
N-Decanoylglycine 1.0257 4.0687 0.9967 0.6135 0.5903 0.4825 0.3980 0.3522 0.4723
Ne,Ne dimethyllysine 1.1492 0.9511 1.0444 0.8922 0.7708 1.2063 0.7985 0.9489 1.2386
N-ethylsuccinimide 0.7955 1.4601 0.9197 0.6583 0.8651 0.5043 1.7132 1.5230 0.5608
N-(hexadecanoyl)-hexadecasphing-4-enine-1-phosphoethanolamine 0.8313 1.0468 1.0711 0.8968 1.0413 0.9313 1.0550 1.2052 0.9212
N-hydroxyisoleucine 1.1479 0.8890 1.1020 0.9885 0.8405 1.1323 0.8285 0.9161 1.1552
N-Lauroylglycine 0.8471 1.8457 0.4444 0.4512 NA NA NA NA NA
N-Methyl-2-pyrrolidinone 0.7877 0.9304 0.9160 0.9767 1.2091 1.0512 0.9441 1.1071 1.0777
N-Methylethanolamine phosphate 1.0286 0.9881 0.9740 0.9798 0.7131 1.1445 0.9328 1.0310 1.2081
N-Methylhydantoin 0.8341 0.7059 0.7567 1.1991 1.0159 1.5677 0.7807 0.6953 1.4446
N,N-dihydroxyvaline 1.0496 0.8511 0.9445 1.2338 1.1995 1.1847 0.5738 0.8247 1.1383
N,N-Dimethylglycine 0.9655 1.0101 0.9905 0.8994 0.9843 1.0746 0.9263 0.9808 1.1684
N-Nonanoylglycine 1.0033 1.0042 0.9025 0.9611 1.3363 0.7786 1.1525 0.9566 0.9048
nocardicin F NA NA NA NA NA NA NA NA NA
nonulose 9-phosphate 0.9087 0.9659 0.9009 0.9277 0.8650 1.1821 0.9648 1.0378 1.2471
N-palmitoyl methionine 0.8128 1.0352 1.0816 1.0025 1.1115 0.8436 1.1365 1.1683 0.8081
N(pi)-Methyl-L-histidine 1.2867 1.0274 0.9737 0.9014 0.8292 1.0004 0.9224 0.9279 1.1308
N-Succinyl-L-glutamate 1.6875 1.4824 1.0984 0.2989 0.2196 0.6278 0.8278 1.4291 0.7431
N-(Tetradecanoyl)-sphing-4-enine 0.8551 1.0776 1.0443 0.8458 1.1247 0.6971 1.2640 1.3730 0.7183
N-Undecanoylglycine 1.3635 4.3272 1.0179 0.5654 0.5670 0.4165 0.2027 0.1753 0.3646
O-Acetylcarnitine 1.1692 1.5462 1.5509 0.3966 0.4667 0.4444 1.1122 1.8643 0.4495
O-Acetyl-L-homoserine 1.0902 1.0278 0.9607 0.8415 0.8539 1.1001 1.0215 0.9702 1.1341
O-Acetyl-L-serine 1.1244 1.0152 0.9163 0.8562 0.6822 1.2244 0.9043 1.0854 1.1917
O-Butanoylcarnitine 1.2916 1.0157 0.8470 0.9092 1.1476 0.8690 1.0932 0.8902 0.9366
Octadecanal 0.9198 0.8752 1.0477 1.0608 1.0694 1.1474 0.9090 0.9444 1.0261
Octadecanamide 0.4503 0.8839 1.2367 1.3503 1.6994 0.9742 0.6348 1.0244 0.7462
Octadecanoic acid 0.6749 0.6700 1.0974 0.8708 1.1728 0.9929 1.3537 1.0935 1.0741
Octadecanoyl-CoA 1.4028 1.4229 1.3081 0.4752 0.4381 0.2608 1.4690 1.4662 0.3873
octulose 8-phosphate 1.0246 0.8207 0.9748 1.0666 1.0073 1.2957 0.7178 0.8730 1.2197
O-Propanoylcarnitine 1.6655 1.1859 0.9468 0.7659 0.8002 0.6320 1.1349 1.0214 0.8473
Orotate 2.3151 0.7648 2.3378 0.3979 0.5155 0.5385 0.7916 0.8691 0.4697
Ovothiol A 0.8493 0.9372 0.8839 1.0039 0.8450 1.3333 0.8558 0.9950 1.2965
Oxalate 0.8796 0.9517 0.9758 0.9768 1.3631 0.7458 1.2172 1.0632 0.8268
[PA(16:0/0:0)] 1-hexadecanoyl-2-sn-glycero-3-phosphate 1.2418 1.2688 0.8204 0.8342 0.6235 1.0297 0.9657 1.1881 1.0276
PA(18:1(9Z)/0:0) 1.2327 1.2382 0.9170 0.7805 0.5883 1.1961 0.9786 1.1081 0.9605
PA(18:2(9Z,12Z)/0:0) 1.1407 0.9363 0.8422 0.7939 0.6478 1.8995 0.8709 0.9331 0.9356
[PA(20:4(5Z,8Z,11Z,14Z)/0:0)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphate 1.0314 1.1684 0.9134 0.7283 NA 1.2486 0.9434 1.0909 0.7859
PA(34:2) 0.8127 1.0489 1.0861 0.9588 1.1118 0.7739 1.1416 1.2493 0.8168
PA(36:2) 0.8215 1.1346 1.1184 0.9131 1.1413 0.6304 1.2299 1.3289 0.6820
PA(36:3) 0.9296 1.0331 1.1066 0.8435 1.0546 0.8137 1.1279 1.3173 0.7735
PA(36:4) 0.9302 1.0264 1.0595 0.9818 1.0999 0.8194 0.9824 1.2508 0.8497
PA(38:4) 0.8582 1.1369 1.1711 0.8632 1.1273 0.6960 1.2073 1.2407 0.6993
PA(38:5) 0.9030 1.0870 1.0688 0.9252 1.0806 0.7392 1.1364 1.2898 0.7701
PA(38:6) 0.8715 1.0294 1.1427 0.9523 1.1160 0.8124 1.1010 1.1847 0.7899
Palmitoyl-CoA 1.1856 1.5220 1.1909 0.6162 0.7522 0.5139 1.1505 1.3786 0.6900
p-aminobenzoyl glutamate 0.7053 0.8184 0.9477 1.1042 0.8947 1.4938 0.6734 0.8602 1.5023
Pantothenate 1.0714 0.8232 0.6374 1.1593 0.9940 1.3096 0.7503 0.7951 1.4596
PA(O-36:3) 0.7723 1.1244 0.9996 0.9385 1.2077 0.6412 1.2309 1.4212 0.6642
PA(P-34:2) 0.8183 1.0803 1.0123 1.0754 1.0835 0.7791 1.1200 1.1777 0.8535
PC(14:1) 1.0935 0.8394 1.2418 0.9974 0.9201 1.1522 0.7308 0.7797 1.2451
PC(18:2) 1.0848 0.9181 0.8894 0.8261 0.5556 2.0369 0.8672 0.9035 0.9184
[PC(22:6)] 1.0598 0.9789 0.8563 0.8092 0.5404 2.1776 0.8679 0.8719 0.8380
[PC(22:6/22:6)] 1,2-di-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine 0.8680 1.1201 0.9877 0.8859 0.9844 0.7726 1.2609 1.3176 0.8027
PC(32:0) 1.0838 1.2782 0.9248 1.0854 0.6660 0.6830 1.2764 1.2267 0.7758
PC(34:2) 0.8911 0.9653 1.0178 1.0134 1.2182 0.7828 1.1534 1.1178 0.8401
PC(36:2) 0.8922 0.9793 1.0650 1.0063 1.3560 0.6536 1.2149 1.1575 0.6752
PC(38:4) 0.8694 1.0222 1.0456 0.9815 1.2617 0.6995 1.1993 1.1944 0.7264
PC(38:5) 0.8955 1.0031 1.0153 0.9969 1.2230 0.7678 1.1564 1.1472 0.7949
PC(38:6) 0.9226 0.9667 0.9853 0.9785 1.1815 0.8613 1.0920 1.1206 0.8915
PC(40:5) 0.8755 1.0293 1.0973 1.0127 1.3368 0.6737 1.1745 1.1189 0.6811
PC(40:6) 0.8872 0.9938 1.0500 1.0006 1.2591 0.7817 1.1506 1.1031 0.7739
PC(40:7) 0.8679 0.9751 0.9852 0.9776 1.2134 0.8609 1.1107 1.1189 0.8903
PC(40:8) 0.8913 0.9142 0.9457 1.0187 1.1680 0.9114 1.0881 1.0810 0.9816
PC(42:10) 0.8718 0.8854 1.0426 0.9623 1.0376 0.7873 1.2517 1.2641 0.8974
PC(42:8) 0.9074 1.1248 1.0228 0.8532 1.1116 0.6912 1.2950 1.2888 0.7052
PC(44:10) 0.9441 1.1117 1.0495 0.9280 1.1011 0.6540 1.3209 1.2229 0.6679
PC(44:9) 0.8637 0.9001 1.0703 0.9402 1.0756 0.6586 1.3860 1.4153 0.6902
[PC acety] 1-acetyl-sn-glycero-3-phosphocholine 0.6718 1.0082 0.9502 0.6236 0.6819 1.1108 1.1911 1.2554 1.5069
PC(P-32:2) 0.8189 0.9751 0.8869 1.0229 1.2848 0.8044 1.2582 1.0106 0.9381
PC(P-34:2) 0.7817 0.9577 0.8881 1.0701 1.2805 0.7915 1.1900 1.1938 0.8467
P-DPD 1.0566 0.7450 0.9371 1.0299 0.8200 1.4336 0.7566 0.7947 1.4265
[PE(16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phosphoethanolamine 1.2447 0.6959 1.1466 1.0841 1.0177 1.1440 0.6721 0.7109 1.2841
PE(16:2) 1.3025 0.9586 1.0401 0.9494 0.7934 1.1399 0.8355 0.7047 1.2758
PE(32:1) 0.8357 1.0464 1.0334 1.0536 1.1367 0.7539 1.1699 1.1810 0.7892
PE(34:2) 0.8329 1.0159 1.0953 0.9447 1.4157 0.6686 1.2176 1.1912 0.6181
PE(36:2) 0.7655 1.0152 1.0409 0.9264 1.4761 0.6404 1.2892 1.2580 0.5883
PE(36:4) 0.8405 1.0336 1.1060 0.9928 1.3397 0.8363 1.0417 1.0449 0.7644
PE(36:5) 0.8741 0.9255 1.1745 0.9582 1.1685 0.9026 1.0402 1.1644 0.7921
PE(42:4) 0.8869 1.0034 1.1113 0.8623 1.4387 0.6528 1.1930 1.1980 0.6536
PE(42:5) 0.9348 1.0120 1.1569 0.8892 1.2563 0.7156 1.1352 1.1184 0.7815
Pentadecanoic acid 0.8607 0.9253 0.9387 1.0307 1.3648 0.8049 1.1867 1.0452 0.8430
[PE(O-18:2)] 1-octadecyl-sn-glycero-3-phosphoethanolamine 1.0877 0.9099 0.9594 0.9816 1.0453 1.0742 0.8656 0.8690 1.2073
PE(P-20:0) 1.0138 0.9326 1.0030 1.0583 1.1148 0.9868 0.8490 0.9104 1.1312
PE(P-34:2) 0.7384 0.9497 1.0144 1.0755 1.4855 0.6849 1.2622 1.1262 0.6631
PE(P-36:1) 0.6836 1.0111 1.0690 0.8580 1.8026 0.5860 1.1813 1.2501 0.5581
PE(P-36:2) 0.7122 0.9459 0.9590 0.9641 1.8269 0.5838 1.2412 1.1354 0.6314
Perillic acid 1.0581 0.7124 1.0087 0.9491 1.3967 0.7663 1.4453 1.0649 0.5985
PG(34:2) 0.9907 0.9361 1.1315 1.0444 0.9326 1.0010 0.9367 1.0232 1.0038
PG(36:4) 1.0151 0.8256 1.1899 1.0708 0.9097 1.1658 0.8354 0.8662 1.1216
PG(40:4) 0.8438 0.9156 1.1548 1.1795 1.1371 0.8431 0.9986 1.1379 0.7895
PG(40:5) 0.9020 0.9147 1.0704 1.1700 1.1407 0.8916 0.9980 1.0201 0.8925
PG(40:6) 0.9287 0.9060 1.1339 1.0887 1.0433 0.9590 0.9418 1.0369 0.9616
PG(40:8) 0.8836 0.9099 0.9820 1.0021 1.0366 1.1404 0.8595 1.0864 1.0995
PG(40:9) 0.9276 0.6146 1.0415 1.0655 1.2425 0.9738 0.8828 1.3157 0.9360
Phe-Asp-Asp 0.8043 0.7416 0.9777 1.2331 0.7295 1.8079 0.4204 0.8344 1.4511
Phenyllactate 0.9788 0.8529 0.8937 1.1878 0.8267 1.7458 0.4877 0.7873 1.2392
Phenylpropanoate 1.2303 0.6393 1.0804 1.3255 1.0839 0.9983 0.6269 0.7528 1.2625
Phe-Val-Pro-Pro 0.5387 0.9307 0.9071 0.7138 2.6865 0.5361 1.1110 1.0552 0.5209
Phosphodimethylethanolamine 1.1992 0.9887 0.8322 0.9105 0.7371 1.0810 0.9226 1.0296 1.2991
Phosphoenolpyruvate 1.1031 1.0687 1.1722 0.6139 0.7240 0.7606 1.0496 1.6461 0.8617
phosphoglycolohydroxamate 1.6743 0.6844 2.1827 0.3107 0.5215 0.7360 1.1637 0.9354 0.7913
Phosphonoacetaldehyde 0.9155 0.9662 0.9557 1.0117 1.1602 0.8709 1.1457 1.0672 0.9070
Phthalate 0.9121 0.9312 0.8928 1.0504 1.2481 0.8427 1.1445 1.0269 0.9513
Phytuberin 0.9873 0.8881 1.2948 0.9376 1.0273 0.7978 1.2965 0.9986 0.7720
[PI(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1^-myo-inositol) 0.8915 0.8502 0.8918 1.0015 1.0393 1.2471 0.8685 0.8587 1.3515
PI(18:2) 0.8773 0.8112 0.8537 0.9698 0.9425 1.4128 0.8208 0.9107 1.4013
PI(34:1) 0.8349 1.0457 1.0000 1.0484 1.1812 0.7452 1.1712 1.2190 0.7544
PI(34:2) 0.7640 0.9928 0.9882 1.1023 1.1960 0.8826 1.0894 1.1044 0.8803
PI(34:3) 0.9252 1.0233 0.9883 0.8955 0.9613 0.9947 1.1019 1.0408 1.0689
PI(36:1) 0.8344 1.1008 1.1194 0.9883 1.2252 0.6047 1.3343 1.2534 0.5394
PI(36:2) 0.8407 1.0826 1.0860 1.0187 1.1662 0.6824 1.2620 1.2314 0.6302
PI(36:3) 0.8617 0.9768 1.0661 1.0645 1.1214 0.8117 1.0946 1.1200 0.8832
PI(36:4) 0.8672 0.9496 0.9303 1.0561 1.1612 0.9284 1.0749 1.1467 0.8856
PI(38:6) 0.8902 1.0107 1.0017 1.1178 1.0802 0.9031 1.0781 1.0690 0.8491
PI(40:4) 0.8447 1.0791 1.1473 0.9740 1.2695 0.6388 1.2360 1.2531 0.5574
PI(40:5) 0.8892 1.0404 1.1333 1.0199 1.2679 0.6617 1.1842 1.1914 0.6120
PI(40:6) 0.9077 1.0441 1.1105 1.0111 1.1967 0.7210 1.1556 1.1939 0.6594
PI(40:7) 0.8596 1.0326 1.0213 0.9778 1.1890 0.8149 1.1703 1.1590 0.7754
PI(40:8) 0.8503 0.8509 1.0243 1.0283 1.2270 0.9499 1.0811 1.1108 0.8772
PI(42:8) 0.8812 1.0060 1.0356 0.9158 1.3487 0.7544 1.2092 1.2494 0.5996
PI(42:9) 0.9255 0.9938 1.1031 0.9008 1.2546 0.7073 1.1211 1.2693 0.7245
Picolinamide 1.5856 1.2723 0.9353 0.7531 0.7525 0.7216 1.1587 1.0000 0.8210
PIP(16:0/20:2(11Z,14Z)) 0.5789 0.8966 1.0353 0.8683 2.3256 0.5107 1.0302 1.1093 0.6451
PIP(38:4) 0.6451 0.8600 0.9835 0.9493 2.3585 0.4951 1.0760 1.0484 0.5841
PIP(38:5) 0.3308 0.8272 0.9448 0.6865 3.0233 0.5126 1.0347 1.0346 0.4740
PIPES 0.9924 0.9637 0.8749 1.0664 1.1262 0.9306 1.0981 0.9606 0.9872
[PR] 4-Hydroxymytiloxanthin 0.8745 0.9751 0.9707 1.0304 1.3184 0.7047 1.2819 1.0839 0.7604
[PR] Abietic acid 1.0106 1.1444 0.6301 0.8092 0.7835 1.7138 0.9403 1.0853 0.8828
[PR] Coenzyme Q8 0.7713 0.9525 1.0419 1.0412 1.3266 0.8467 1.1740 1.0324 0.8134
[PR] Limonene-1,2-diol 1.0956 0.9275 1.2999 0.9094 1.0453 0.8327 1.1676 0.8784 0.8436
Propanoyl phosphate 0.9004 1.2488 0.8714 0.8734 0.7208 1.0382 1.0116 1.3113 1.0242
PS(18:2(9Z,12Z)/0:0) 1.0249 0.8514 0.7352 0.9831 1.0326 1.3473 0.9033 0.8871 1.2351
PS(34:0) 1.0695 0.9057 1.0594 1.0957 1.0559 0.9535 0.9326 1.0316 0.8961
PS(34:2) 0.9698 0.9252 0.9279 1.0884 1.0315 1.0041 1.0008 1.0211 1.0313
PS(36:0) 0.9644 0.9126 1.1351 1.1722 1.1381 0.8143 1.0574 1.0202 0.7857
PS(36:2) 0.9392 0.9162 1.1304 1.0784 1.2138 0.8483 0.9614 1.0139 0.8984
PS(38:4) 0.8223 1.0483 0.9787 1.0209 1.3093 0.7984 1.1449 1.1058 0.7715
PS(38:5) 0.9170 0.8935 1.0991 0.9900 1.2563 0.8321 1.1222 1.0241 0.8657
PS(38:6) 0.9931 0.9737 1.0102 1.0442 1.0429 0.9723 1.0384 0.9863 0.9389
PS(40:2) 0.9151 0.8827 1.0943 1.2075 1.3177 0.7631 0.9942 1.1143 0.7112
PS(40:3) 0.9176 0.9006 1.1358 1.2613 1.1737 0.8368 0.9460 1.0244 0.8038
PS(40:4) 0.9945 0.8724 1.0943 1.2402 1.1213 0.8757 0.9997 0.9910 0.8109
Pseudouridine 0.9865 0.9325 1.0081 0.9832 0.8996 1.1387 0.8923 1.0131 1.1460
PS(O-18:0) 0.7213 0.8213 0.8720 1.0244 1.0260 1.3326 0.9580 0.9003 1.3441
PS(O-18:0/20:5(5Z,8Z,11Z,14Z,17Z)) 0.8082 0.9805 0.9929 0.8939 1.4654 0.7397 1.1772 1.2523 0.6901
PS(O-36:0) 0.8035 0.9706 0.8810 1.1350 1.1811 0.7258 1.1981 1.3326 0.7723
PS(O-36:2) 0.8095 1.0664 0.9931 1.0503 1.2194 0.7314 1.2045 1.2017 0.7238
PS(O-36:3) 0.7593 1.0777 0.9437 1.1521 1.1836 0.6932 1.2593 1.1977 0.7333
PS(O-38:4) 0.7992 0.9649 1.0628 1.0259 1.2831 0.7535 1.1822 1.1697 0.7587
Pyridoxal 1.2670 1.1346 0.8306 0.9338 0.8406 0.9570 1.0363 0.8790 1.1210
Pyruvate 0.8412 0.6360 0.6926 1.1844 1.0056 1.7173 0.7128 0.6412 1.5690
Rishitin 1.1388 0.8602 1.2407 0.8435 1.0510 0.7861 1.2701 0.9783 0.8315
(R)-piperidine-3-carboxylate 0.9888 0.9038 1.0269 0.9704 0.8938 1.1071 0.9041 1.0587 1.1463
(S)-2-Aceto-2-hydroxybutanoate 0.7558 0.8935 0.5925 1.1808 0.7711 1.6089 0.6886 0.9319 1.5769
(S)-2-Acetolactate 1.5092 1.2088 0.7887 0.8671 0.9056 0.7632 1.0630 0.9896 0.9048
(S)-3-Methyl-2-oxopentanoic acid 1.5241 0.8895 0.9572 1.0250 0.9142 1.0695 0.7657 0.7969 1.0579
S-Adenosyl-L-homocysteine 0.9365 0.8971 0.9770 0.8984 0.6823 1.5527 0.7791 0.9222 1.3547
S-Adenosyl-L-methionine 1.0291 0.9941 0.8129 0.9908 0.7352 1.3547 0.8721 0.9536 1.2576
Sedoheptulose 0.7889 0.6447 0.8878 1.1224 1.2824 1.2924 0.7393 0.7730 1.4690
(S)-Lactate 1.6211 1.0303 0.6541 1.0482 1.0162 0.8927 0.9175 0.7586 1.0613
(S)-Malate 1.1496 0.8291 1.2397 0.4792 0.6987 1.0103 1.3771 0.9759 1.2403
SM(d32:1) 0.9053 0.8877 0.8480 0.9997 1.0421 1.0627 1.0401 1.1229 1.0914
SM(d34:1) 0.8851 0.9852 1.0038 1.0605 1.1678 0.8610 1.1000 1.0347 0.9018
SM(d34:2) 0.8542 1.1324 0.9035 0.9593 0.6463 1.2011 0.9932 1.0556 1.2544
sn-glycero-3-Phospho-1-inositol 0.9370 1.0149 0.9338 0.9224 0.9196 1.1095 0.9853 1.0405 1.1370
sn-glycero-3-Phosphocholine 0.9780 1.0265 1.0155 0.9181 0.8307 1.0525 1.0168 1.0872 1.0746
sn-glycero-3-Phosphoethanolamine 0.9819 0.9090 0.9520 0.9891 0.8237 1.2157 0.8726 0.9731 1.2830
sn-Glycerol 3-phosphate 0.7528 0.8197 0.6246 1.2491 0.8120 1.7233 0.6645 0.7012 1.6528
sodium dodecyl sulfate 0.7804 1.3421 1.2459 0.5819 0.9116 0.5506 1.6447 0.7179 1.2249
[SP (14:0)] 1-deoxy-tetradecasphinganine 0.8676 0.8893 0.9092 1.0507 1.4212 0.7641 1.1045 1.0515 0.9418
[SP (16:0)] N-(hexadecanoyl)-sphing-4-enine 0.7417 0.9932 1.1094 0.9528 1.3771 0.5640 1.2931 1.4820 0.4867
[SP amino(18:0/2:0)] 2S-aminooctadecane-1,3R-diol 1.0515 0.9127 1.6028 0.9126 1.2365 0.4090 1.1303 1.2497 0.4948
Sphingomyelin(d18:1/12:0) 0.8898 1.1147 1.0662 1.0017 1.1357 0.7522 1.1142 1.1636 0.7618
[SP hydroxy(16:0)] N-(hexadecanoyl)-4S-hydroxysphinganine 0.7262 0.9551 1.1810 1.1053 1.4171 0.5708 1.3076 1.2742 0.4628
[SP] Sphinganine-1-phosphate 0.6957 1.1898 1.0757 0.6295 NA 1.0709 1.0429 1.1471 1.1484
[ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene 0.8498 0.8910 0.9343 1.0034 1.2299 0.8144 1.3233 0.9744 0.9795
Stealthin C 0.9873 0.9808 1.0403 0.9521 1.0715 0.8776 1.1013 1.0719 0.9170
[ST hydrox] 3alpha,7alpha-Dihydroxy-5beta-cholan-24-oic Acid 0.7754 0.5771 0.5270 1.6764 1.2669 0.5680 1.3756 1.1261 0.8962
Succinate 0.9346 1.1080 0.7974 0.9848 0.8121 1.3147 0.7760 1.0758 1.1965
Succinate semialdehyde 0.9020 0.7409 0.7187 1.2194 1.0273 1.3868 0.9013 0.6460 1.4577
Succinyladenosine NA 1.0000 NA NA NA NA NA NA NA
Sucrose 1.0552 0.9924 0.8546 0.9264 0.8093 1.0903 1.0471 0.9614 1.2633
Sulfoacetate 0.9687 1.0023 0.8575 1.1416 1.2908 0.7219 1.1647 1.0240 0.8285
Taurine 1.0700 0.9067 1.0741 0.9178 0.9266 1.0842 0.8948 0.9929 1.1329
Taurodeoxycholate 1.1531 0.9728 0.8562 0.9240 1.2195 0.9773 0.8833 0.8563 1.1576
Tetracosanoic acid 0.9196 0.8496 1.1662 1.0817 0.9754 0.8263 1.2339 1.0082 0.9391
Tetraethylammonium 1.0977 1.1488 1.1405 0.6696 1.1515 0.5503 1.4857 1.1333 0.6226
Thiamin 1.1623 0.8757 1.0198 0.8391 0.8907 1.3458 0.8527 0.8584 1.1557
Tiglylcarnitine 0.9060 0.8735 0.9237 0.9910 1.3979 0.7639 1.2679 1.0307 0.8454
Tributyl phosphate 0.4791 0.8449 0.7462 1.4867 1.2513 0.9305 1.0741 1.0524 1.1348
Tridecanoylglycine 1.1536 3.2645 0.8433 0.5116 0.5586 0.3614 NA NA 0.3070
Tris(butoxyethyl)phosphate NA NA 1.0000 NA NA NA NA NA NA
Trp-Trp-Tyr-Tyr 2.6548 1.1983 0.4005 0.8924 0.5546 0.6294 0.9472 0.5627 1.1602
Trypanothione disulfide 0.9691 1.0491 1.0080 0.8271 0.6725 1.2008 0.8627 1.1422 1.2686
UDP 0.9812 0.6527 0.7376 1.1094 0.7926 1.5748 0.7980 0.5776 1.7762
UDP-D-galactose 1.0089 0.9909 0.9421 0.9310 0.8133 1.1196 0.9825 1.0362 1.1755
UDP-N-acetyl-D-glucosamine 0.9997 1.0342 0.9240 0.8935 0.7055 1.2236 0.9425 1.0258 1.2510
UMP 0.3875 0.2374 0.2749 0.8978 0.4392 3.6324 0.2436 0.2121 2.6750
Uracil 0.7679 0.4937 0.5015 1.0764 0.6614 2.3608 0.4608 0.6992 1.9783
Urate 1.8086 1.1973 0.6458 0.9435 0.8881 0.6793 1.1000 0.8076 0.9298
Urocanate 0.8155 0.8028 1.2228 0.7583 1.3221 0.5343 1.6517 1.3159 0.5767
UTP 1.0865 1.3600 1.1901 0.6542 0.6754 0.6651 1.1335 1.4128 0.8224
Val-Arg 0.6665 0.8313 0.7298 1.1958 0.8855 1.8081 0.6439 0.8219 1.4172
Vindoline 1.1017 0.9122 0.9296 0.7081 0.8954 1.6635 0.8518 1.0727 0.8650
Vinylacetylglycine 0.7394 1.3631 0.8187 0.6046 0.6768 0.7257 1.5730 1.4724 1.0262
Xanthine 1.5009 1.0184 1.0472 0.8123 0.7370 1.0424 0.7841 1.0190 1.0388
Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

F1Drug treatment:DMSO
F2Drug treatment:MIPS112
F3Drug treatment:MIPS116
F4Drug treatment:MIPS12828
F5Drug treatment:MIPS14554
F6Drug treatment:MIPS15
F7Drug treatment:MIPS8664
F8Drug treatment:MIPS9560
F9Drug treatment:MIPS9880
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