Data for (Study ST001412)

(Analysis AN002362)

Values for each metabolite have been scaled by dividing by the mean across all factors

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MetaboliteF1F2F3
10-heptadecenoate (17:1n7) 0.7201 1.1027 1.1708
10-hydroxywarfarin 1.0000 1.0000 1.0000
10-nonadecenoate (19:1n9) 0.7892 1.0868 1.1192
10-undecenoate (11:1n1) 1.0301 0.9534 1.0172
11beta-hydroxyandrosterone glucuronide 0.5957 1.2608 1.1343
12,13-DiHOME 1.2568 0.8339 0.9151
1,2,3-benzenetriol sulfate (1) 1.3402 0.8565 0.8110
1,2,3-benzenetriol sulfate (2) 1.6586 0.7206 0.6357
(12 or 13)-methylmyristate (a15:0 or i15:0) 0.9607 1.0149 1.0235
1,3,7-trimethylurate 0.9293 1.1708 0.8983
1,3-dimethylurate 1.2065 1.0335 0.7647
13-HODE + 9-HODE 1.0150 0.9363 1.0490
14-HDoHE/17-HDoHE 1.4626 0.6938 0.8541
(14 or 15)-methylpalmitate (a17:0 or i17:0) 0.8963 1.0374 1.0640
1,5-anhydroglucitol (1,5-AG) 1.0661 0.9668 0.9686
16a-hydroxy DHEA 3-sulfate 0.6942 0.9302 1.3686
1,6-anhydroglucose 0.9853 0.9556 1.0587
16-hydroxypalmitate 0.9019 1.0152 1.0806
(16 or 17)-methylstearate (a19:0 or i19:0) 0.9556 1.0376 1.0058
17alpha-hydroxypregnenolone 3-sulfate 1.0265 0.9920 0.9821
1,7-dimethylurate 0.9953 1.1742 0.8304
1-carboxyethylleucine 0.4575 1.2896 1.2406
1-carboxyethylphenylalanine 0.5460 1.2898 1.1539
1-carboxyethylvaline 0.5344 1.2942 1.1608
1-hydroxy-2-naphthalenecarboxylate 1.0000 1.0000 1.0000
1-linoleoyl-GPA (18:2)* 1.0929 0.9854 0.9238
1-linoleoyl-GPG (18:2)* 0.8560 1.0765 1.0643
1-methyl-4-imidazoleacetate 0.8506 1.1357 1.0103
1-methyl-5-imidazoleacetate 0.9238 1.1330 0.9414
1-methylhistidine 0.8597 1.1029 1.0342
1-methylnicotinamide 1.1037 0.8436 1.0550
1-methylurate 1.2843 0.9510 0.7712
1-methylxanthine 1.3020 0.8595 0.8453
1-oleoyl-GPS (18:1) 1.2658 0.7438 0.9965
1-palmitoyl-GPG (16:0)* 0.8483 1.1194 1.0289
1-ribosyl-imidazoleacetate* 0.9165 1.1232 0.9584
1-stearoyl-2-arachidonoyl-GPS (18:0/20:4) 0.9655 0.9452 1.0885
1-stearoyl-2-oleoyl-GPG (18:0/18:1) 1.1886 0.9395 0.8762
1-stearoyl-2-oleoyl-GPS (18:0/18:1) 0.9172 0.9644 1.1166
1-stearoyl-GPG (18:0) 0.8160 1.1198 1.0600
1-stearoyl-GPS (18:0)* 1.1898 0.8198 0.9948
21-hydroxypregnenolone disulfate 0.9046 1.0001 1.0931
2,2^-Methylenebis(6-tert-butyl-p-cresol) 0.2233 0.2101 2.5490
2,3-dihydroxy-2-methylbutyrate 0.8541 1.0456 1.0970
2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)* 0.7541 1.1551 1.0852
2,3-dihydroxyisovalerate 1.3152 1.0439 0.6480
2,3-diphosphoglycerate 0.6727 0.3505 1.9693
(2,4 or 2,5)-dimethylphenol sulfate 0.6788 0.6746 1.6393
2,6-dihydroxybenzoic acid 0.9621 1.0890 0.9480
2-acetamidophenol sulfate 1.2734 1.0730 0.6598
2-aminoadipate 0.6112 1.1790 1.2009
2-aminobutyrate 0.7707 1.0328 1.1914
2-aminoheptanoate 0.8546 1.1611 0.9810
2-aminooctanoate 1.2353 0.8858 0.8843
2-aminophenol sulfate 1.1237 1.0806 0.7985
2^-deoxyuridine 0.8753 1.0028 1.1191
2-hydroxy-3-methylvalerate 0.7897 1.0355 1.1700
2-hydroxy-4-(methylthio)butanoic acid 0.8925 1.0852 1.0198
2-hydroxyacetaminophen sulfate* 1.0418 0.2625 1.6967
2-hydroxyarachidate* 0.9302 1.0555 1.0128
2-hydroxybutyrate/2-hydroxyisobutyrate 0.6258 1.0643 1.3013
2-hydroxydecanoate 1.2316 0.9161 0.8576
2-hydroxyglutarate 0.8721 1.0717 1.0533
2-hydroxyhippurate (salicylurate) 0.6976 1.2112 1.0843
2-hydroxyibuprofen 0.8171 1.2498 0.9290
2-hydroxylaurate 1.1171 0.9548 0.9308
2-hydroxymyristate 1.1565 0.8609 0.9862
2-hydroxynervonate* 0.9415 1.1013 0.9559
2-hydroxyoctanoate 1.1492 0.9362 0.9180
2-hydroxypalmitate 1.0503 0.9505 1.0003
2-hydroxyphenylacetate 0.7693 1.1322 1.0932
2-hydroxyphytanate* 1.1629 0.9388 0.9020
2-hydroxysebacate 1.0566 0.9914 0.9533
2-hydroxystearate 1.0432 0.9656 0.9923
2-isopropylmalate 0.7074 1.3181 0.9678
2-keto-3-deoxy-gluconate 0.8254 1.1063 1.0643
2-ketocaprylate 1.2105 0.9028 0.8914
2-methoxyacetaminophen glucuronide* 0.5874 0.3313 2.0719
2-methoxyacetaminophen sulfate* 0.8489 0.7542 1.3935
2-methoxyresorcinol sulfate 1.4596 0.8735 0.6774
2-methylbutyrylcarnitine (C5) 0.6383 1.1431 1.2104
2-methylbutyrylglycine 0.8764 1.0605 1.0603
2-methylserine 1.1694 0.8871 0.9473
2-naphthol sulfate 0.8295 1.0011 1.1656
2^-O-methylcytidine 1.0194 0.9500 1.0310
(2 or 3)-decenoate (10:1n7 or n8) 0.9881 0.9763 1.0354
2-oxoarginine* 0.7559 1.0083 1.2303
2-piperidinone 0.9281 0.7661 1.3042
2-pyrrolidinone 0.8599 1.0770 1.0599
2R,3R-dihydroxybutyrate 0.8206 1.0879 1.0874
2S,3R-dihydroxybutyrate 0.6663 1.0640 1.2621
3-(3-amino-3-carboxypropyl)uridine* 0.8314 1.1037 1.0611
3-(3-hydroxyphenyl)propionate 0.8165 1.2280 0.9513
3,4-dihydroxybutyrate 0.8106 1.1412 1.0439
3-(4-hydroxyphenyl)lactate 0.8262 1.0882 1.0817
3,4-methyleneheptanoate 0.9315 0.8527 1.2142
3,5-dichloro-2,6-dihydroxybenzoic acid 0.8004 1.0210 1.1741
3,7-dimethylurate 1.2154 0.9355 0.8540
3-amino-2-piperidone 0.9510 1.0363 1.0117
3-aminoisobutyrate 0.9466 1.0756 0.9767
3beta,7alpha-dihydroxy-5-cholestenoate 0.8953 0.9957 1.1066
3beta-hydroxy-5-cholestenoate 1.1692 0.9273 0.9073
3b-hydroxy-5-cholenoic acid 1.2484 0.9425 0.8148
3-bromo-5-chloro-2,6-dihydroxybenzoic acid* 0.8626 1.0335 1.1008
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-CMPFP)** 0.9957 1.0117 0.9924
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF) 1.0276 0.8934 1.0797
3-ethylcatechol sulfate (1) 0.8243 1.0484 1.1233
3-formylindole 1.0270 0.9678 1.0057
3-hydroxy-2-ethylpropionate 0.7840 1.0582 1.1529
3-hydroxy-2-methylpyridine sulfate 0.7004 0.4358 1.8569
3-hydroxy-3-methylglutarate 0.7856 1.1391 1.0705
3-hydroxyadipate* 0.5843 1.3073 1.0989
3-hydroxybutyrate (BHBA) 0.7698 0.9789 1.2460
3-hydroxybutyroylglycine** 1.0321 0.9924 0.9762
3-hydroxydecanoate 0.8412 1.0489 1.1062
3-hydroxydecanoylcarnitine 1.0202 0.9651 1.0152
3-hydroxydodecanedioate* 0.6495 1.0259 1.3166
3-hydroxyhexanoate 0.8010 1.0917 1.1028
3-hydroxyhexanoylcarnitine (1) 0.7042 1.2212 1.0678
3-hydroxyhippurate 0.8207 1.2142 0.9610
3-hydroxyisobutyrate 0.6815 1.1162 1.1951
3-hydroxylaurate 0.8860 1.0075 1.1039
3-hydroxymyristate 0.8966 0.9964 1.1047
3-hydroxyoctanoate 0.7674 1.0860 1.1413
3-hydroxyoleate* 0.8895 1.0698 1.0382
3-hydroxyoleoylcarnitine 0.7378 1.1436 1.1127
3-hydroxypyridine sulfate 1.1710 0.7419 1.0910
3-hydroxysebacate 0.5715 1.2193 1.1994
3-hydroxystachydrine* 1.3613 0.8754 0.7715
3-hydroxystearate 1.1963 0.9521 0.8561
3-indoxyl sulfate 0.9749 1.0490 0.9755
3-methoxycatechol sulfate (1) 1.4062 0.9276 0.6754
3-methoxycatechol sulfate (2) 1.2293 1.0412 0.7347
3-methoxytyramine sulfate 0.7855 1.4371 0.7725
3-methoxytyrosine 0.7425 1.4870 0.7646
3-methyl-2-oxobutyrate 0.8390 1.0490 1.1084
3-methyl-2-oxovalerate 0.8261 1.0412 1.1288
3-methyladipate 1.1211 0.9470 0.9346
3-methyl catechol sulfate (1) 0.9686 0.9941 1.0366
3-methylcytidine 0.8048 1.0288 1.1619
3-methylglutaconate 0.8416 1.1436 1.0112
3-methylglutarate/2-methylglutarate 0.9589 1.0792 0.9609
3-methylglutarylcarnitine (2) 0.7270 1.2331 1.0337
3-methylhistidine 1.0852 1.0431 0.8736
3-(methylthio)acetaminophen sulfate* 0.4250 0.3971 2.1648
3-methylxanthine 1.4022 0.8888 0.7182
3-(N-acetyl-L-cystein-S-yl) acetaminophen 0.7933 0.2923 1.9097
3-phenylpropionate (hydrocinnamate) 1.8583 0.6504 0.5108
3-phosphoglycerate 0.8716 0.8939 1.2315
3-sulfo-L-alanine 1.0482 0.9719 0.9810
3-ureidopropionate 0.8528 1.0618 1.0821
4-acetamidobenzoate 0.9155 1.2378 0.8448
4-acetamidobutanoate 0.9355 1.0708 0.9923
4-acetamidophenol 0.6122 0.1300 2.2489
4-acetamidophenylglucuronide 0.6367 0.1845 2.1706
4-acetaminophen sulfate 0.9259 0.2701 1.8024
4-acetylcatechol sulfate (1) 1.3381 0.8351 0.8344
4-acetylphenol sulfate 1.7167 0.8152 0.4843
4-allylcatechol sulfate 1.5489 0.6994 0.7642
4-allylphenol sulfate 1.5151 0.7630 0.7336
4-cholesten-3-one 0.7425 1.0712 1.1804
4-ethylcatechol sulfate 1.3364 0.7954 0.8758
4-ethylphenylsulfate 1.6918 0.9128 0.4111
4-guanidinobutanoate 1.2429 1.0162 0.7464
4-hydroxy-2-oxoglutaric acid 0.8713 1.1502 0.9756
4-hydroxychlorothalonil 1.0979 0.9842 0.9202
4-hydroxycoumarin 1.4949 0.6581 0.8583
4-hydroxy duloxetine glucuronide* 0.9556 1.1409 0.9025
4-hydroxyglutamate 0.4664 1.4107 1.1108
4-hydroxyhippurate 0.8119 1.1869 0.9969
4-hydroxyphenylacetate 0.8075 0.9612 1.2270
4-hydroxyphenylacetylglutamine 0.6174 1.1307 1.2432
4-hydroxyphenylpyruvate 0.8032 1.0826 1.1097
4-methoxyphenol sulfate 1.2265 0.9760 0.8027
4-methyl-2-oxopentanoate 0.8600 1.0267 1.1101
4-methylcatechol sulfate 1.1919 0.9731 0.8393
4-methylguaiacol sulfate 1.1115 1.0371 0.8539
4-methylnonanoylcarnitine 1.0956 0.9458 0.9608
4-vinylphenol sulfate 1.3272 0.9415 0.7388
5,6-dihydrothymine 0.8970 1.0465 1.0542
5,6-dihydrouridine 0.8496 1.1007 1.0462
5-acetylamino-6-amino-3-methyluracil 1.1096 1.0471 0.8458
5-acetylamino-6-formylamino-3-methyluracil 1.1081 1.0936 0.8008
5alpha-androstan-3alpha,17alpha-diol monosulfate 1.1092 0.9760 0.9172
5alpha-androstan-3alpha,17beta-diol disulfate 0.7928 1.2366 0.9659
5alpha-androstan-3alpha,17beta-diol monosulfate (1) 0.9307 1.0157 1.0520
5alpha-androstan-3alpha,17beta-diol monosulfate (2) 0.7374 1.1785 1.0781
5alpha-androstan-3beta,17alpha-diol disulfate 1.1465 0.9996 0.8572
5alpha-androstan-3beta,17beta-diol disulfate 0.7454 1.3113 0.9375
5alpha-androstan-3beta,17beta-diol monosulfate (2) 0.9267 1.0065 1.0651
5alpha-pregnan-3beta,20alpha-diol disulfate 1.5087 0.7970 0.7059
5alpha-pregnan-3beta,20alpha-diol monosulfate (2) 1.7787 0.5997 0.6392
5alpha-pregnan-3beta,20beta-diol monosulfate (1) 1.5721 0.7494 0.6915
5alpha-pregnan-diol disulfate 1.4097 0.9014 0.6982
5-dodecenoate (12:1n7) 1.0277 0.9691 1.0038
5-dodecenoylcarnitine (C12:1) 0.7103 1.1313 1.1518
5-(galactosylhydroxy)-L-lysine 0.5539 1.2816 1.1544
5-hydroxy-2-methylpyridine sulfate 0.8480 0.5387 1.6099
5-hydroxy-6-methoxy duloxetine sulfate* 0.9972 1.0055 0.9972
5-hydroxyhexanoate 1.1145 0.9558 0.9322
5-hydroxylysine 0.6272 1.2680 1.0963
5-methylthioadenosine (MTA) 0.6687 1.2194 1.1043
5-methyluridine (ribothymidine) 1.0138 0.9661 1.0205
5-oxoproline 1.0379 0.9900 0.9729
6-bromotryptophan 0.9510 1.0344 1.0135
6-hydroxyindole sulfate 0.9751 1.0546 0.9697
6-oxopiperidine-2-carboxylate 0.7576 1.0633 1.1736
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca) 0.8754 1.0365 1.0852
7-methylguanine 0.9303 1.0441 1.0240
7-methylurate 1.1875 0.9810 0.8357
7-methylxanthine 1.5396 0.7990 0.6737
8-methoxykynurenate 0.6888 1.1848 1.1194
9,10-DiHOME 1.1862 0.9281 0.8899
9-hydroxystearate 1.0916 0.9165 0.9940
acesulfame 0.5172 1.0570 1.4148
acetoacetate 0.6432 1.0266 1.3221
acetylcarnitine (C2) 0.8388 1.0421 1.1154
acisoga 0.8249 1.1378 1.0333
aconitate [cis or trans] 0.8346 1.0893 1.0723
adenine 0.8171 1.0604 1.1183
adenosine 5^-diphosphate (ADP) 0.9480 0.9632 1.0877
adenosine 5^-diphosphoribose (ADP-ribose) 0.9026 0.9327 1.1625
adenosine 5^-monophosphate (AMP) 1.0506 0.8643 1.0863
adipoylcarnitine (C6-DC) 0.4921 1.0882 1.4082
adrenate (22:4n6) 0.6801 1.0893 1.2234
alanine 0.9142 1.0560 1.0278
allantoin 0.8821 1.0839 1.0313
alliin 1.4347 1.1502 0.4250
allopurinol 1.0000 1.0000 1.0000
allopurinol riboside 1.0000 1.0000 1.0000
allo-threonine 0.9402 1.0007 1.0577
alpha-CEHC sulfate 0.5758 1.1491 1.2655
alpha-hydroxycaproate 0.8121 1.1615 1.0221
alpha-hydroxyisocaproate 0.8353 1.0383 1.1227
alpha-hydroxyisovalerate 0.8097 1.0474 1.1386
alpha-ketobutyrate 0.6408 1.0579 1.2932
alpha-ketoglutaramate* 0.9294 1.0341 1.0349
alpha-ketoglutarate 0.8170 1.0783 1.1005
alpha-tocopherol 0.9926 1.0047 1.0026
androstenediol (3alpha, 17alpha) monosulfate (2) 0.9344 0.9157 1.1484
androstenediol (3alpha, 17alpha) monosulfate (3) 1.1439 0.9467 0.9126
androstenediol (3beta,17beta) disulfate (1) 0.7164 1.1898 1.0874
androstenediol (3beta,17beta) disulfate (2) 0.8455 1.0392 1.1119
androstenediol (3beta,17beta) monosulfate (1) 0.8888 0.8482 1.2604
androstenediol (3beta,17beta) monosulfate (2) 0.8860 1.0893 1.0221
andro steroid monosulfate C19H28O6S (1)* 0.7310 0.9558 1.3071
androsterone glucuronide 0.8544 0.9747 1.1676
androsterone sulfate 1.2605 0.8919 0.8535
arabinose 0.6975 1.2806 1.0151
arabitol/xylitol 0.9040 1.0755 1.0183
arabonate/xylonate 0.9965 1.0424 0.9611
arachidate (20:0) 1.0721 0.9926 0.9370
arachidonate (20:4n6) 0.9953 0.9240 1.0807
arachidonoylcarnitine (C20:4) 0.8583 1.0871 1.0514
arachidonoylcholine 1.5242 0.7717 0.7160
arachidoylcarnitine (C20)* 1.3426 0.8499 0.8153
argininate* 0.7864 0.9827 1.2261
arginine 1.1019 0.9207 0.9797
ascorbate (Vitamin C) 1.0000 1.0000 1.0000
ascorbic acid 2-sulfate 0.9630 1.0224 1.0138
ascorbic acid 3-sulfate* 0.9150 0.9868 1.0962
asparagine 1.1124 0.9116 0.9786
aspartate 0.7644 1.0920 1.1383
atenolol 1.0000 1.0000 1.0000
azelate (C9-DC) 0.4557 0.5059 2.0260
behenoylcarnitine (C22)* 1.3336 0.9176 0.7563
benzoate 0.9798 0.9357 1.0840
beta-alanine 0.8172 1.0422 1.1364
beta-citrylglutamate 0.8365 1.0038 1.1560
beta-cryptoxanthin 1.7809 0.6260 0.6109
beta-hydroxyisovalerate 0.7604 1.0199 1.2142
beta-hydroxyisovaleroylcarnitine 0.8480 0.9694 1.1792
betaine 0.9898 1.0458 0.9641
beta-sitosterol 1.7216 0.5504 0.7444
betonicine 1.1205 1.3838 0.4984
bilirubin (E,E)* 0.8341 1.0817 1.0804
bilirubin (E,Z or Z,E)* 1.0640 0.9831 0.9543
bilirubin (Z,Z) 1.0530 0.9435 1.0047
biliverdin 0.8795 0.8775 1.2402
branched chain 14:0 dicarboxylic acid** 1.7187 0.6999 0.5977
branched-chain, straight-chain, or cyclopropyl 10:1 fatty acid (1)* 1.2005 0.9802 0.8238
branched-chain, straight-chain, or cyclopropyl 10:1 fatty acid (2)* 0.8313 0.9952 1.1697
branched-chain, straight-chain, or cyclopropyl 10:1 fatty acid (3)* 0.8967 1.1619 0.9391
branched-chain, straight-chain, or cyclopropyl 12:1 fatty acid* 0.9618 0.9733 1.0640
butyrate (4:0) 0.9375 1.0244 1.0367
butyrylcarnitine (C4) 0.7238 1.0537 1.2163
butyrylglycine 1.3216 0.8255 0.8602
caffeic acid sulfate 0.8010 1.0316 1.1629
caffeine 1.1394 1.1477 0.7161
caprate (10:0) 1.0850 1.0635 0.8534
caproate (6:0) 1.0017 1.0602 0.9382
caprylate (8:0) 0.9559 1.1486 0.8945
carboxyethyl-GABA 1.0783 0.9823 0.9411
carboxyibuprofen 0.6921 1.3762 0.9247
carnitine 0.9143 1.0119 1.0719
carnitine of C10H14O2 (5)* 0.6870 1.1728 1.1331
carotene diol (1) 1.6664 0.6953 0.6535
carotene diol (2) 1.7445 0.6280 0.6444
carotene diol (3) 1.6416 0.6643 0.7086
catechol sulfate 1.2965 1.0330 0.6773
celecoxib 1.0000 1.0000 1.0000
cerotoylcarnitine (C26)* 1.0693 0.9965 0.9357
cetirizine 1.0961 1.5082 0.3979
C-glycosyltryptophan 0.7975 1.1362 1.0617
chenodeoxycholate 0.7721 1.0910 1.1317
chiro-inositol 1.6347 0.7268 0.6530
chlorthalidone 1.0000 1.0000 1.0000
cholate 0.8434 1.5632 0.5898
cholesterol 1.0443 0.9573 0.9993
choline 0.9113 1.0853 1.0014
choline phosphate 1.0115 0.9647 1.0241
cimetidine 1.0000 1.0000 1.0000
cinnamoylglycine 1.9107 0.6126 0.4974
cis-4-decenoate (10:1n6)* 0.7767 1.2185 0.9998
cis-4-decenoylcarnitine (C10:1) 0.8372 1.1432 1.0158
citalopram N-oxide* 0.9992 0.9576 1.0432
citalopram propionate* 1.1065 0.8089 1.0871
citraconate/glutaconate 0.9037 0.7963 1.2978
citrate 0.9941 1.0064 0.9994
citrulline 1.0799 0.9682 0.9538
cortisol 1.0334 1.0599 0.9075
cortisone 1.0784 0.9721 0.9513
cortolone glucuronide (1) 0.5903 1.1966 1.2037
cotinine 0.0979 1.9153 0.9663
creatine 0.8834 0.8947 1.2192
creatinine 0.9676 1.0042 1.0274
cys-gly, oxidized 0.9765 0.9640 1.0589
cystathionine 0.7503 1.0064 1.2376
cysteine 0.9147 1.0403 1.0431
cysteine-glutathione disulfide 1.0338 0.7129 1.2540
cysteine s-sulfate 0.7589 1.1361 1.0995
cysteinylglycine 1.0416 0.9818 0.9775
cysteinylglycine disulfide* 0.8684 1.0354 1.0932
cystine 0.7078 1.1530 1.1325
cytidine 0.7463 1.1718 1.0762
decadienedioic acid (C10:2-DC)** 0.6342 1.2157 1.1418
decanoylcarnitine (C10) 0.8213 1.2822 0.8924
dehydroepiandrosterone sulfate (DHEA-S) 1.1471 0.7826 1.0736
delta-CEHC 0.8749 1.0625 1.0598
deoxycarnitine 0.9829 0.9639 1.0528
deoxycholate 0.7327 1.2957 0.9656
deoxycholic acid (12 or 24)-sulfate* 0.4649 1.6014 0.9216
deoxycholic acid glucuronide 0.6065 1.2748 1.1097
desmethylcitalopram* 1.0932 0.7879 1.1210
desmethylnaproxen 0.9508 0.9936 1.0545
desmethylnaproxen sulfate 0.1497 1.4219 1.4091
didesmethylcitalopram* 1.0065 0.9604 1.0333
dihomo-linoleate (20:2n6) 0.8315 1.0257 1.1389
dihomo-linolenate (20:3n3 or n6) 0.9128 0.9628 1.1224
dihomo-linolenoylcarnitine (C20:3n3 or 6)* 0.8666 1.0814 1.0490
dihomo-linolenoyl-choline 1.5499 0.7048 0.7578
dihomo-linoleoylcarnitine (C20:2)* 0.9818 1.0179 0.9999
dihydrocaffeate sulfate (2) 0.9715 1.2655 0.7624
dihydroorotate 0.3215 1.3570 1.3061
diltiazem 1.0000 1.0000 1.0000
dimethylarginine (SDMA + ADMA) 0.9382 1.0408 1.0196
dimethylglycine 0.8393 1.1718 0.9853
dimethyl sulfone 0.3368 2.1286 0.5195
docosadienoate (22:2n6) 0.8481 1.0432 1.1052
docosadioate (C22-DC) 1.2015 0.8691 0.9340
docosahexaenoate (DHA; 22:6n3) 1.1227 0.8864 0.9937
docosahexaenoylcarnitine (C22:6)* 0.9503 0.9969 1.0517
docosahexaenoylcholine 1.6374 0.7248 0.6523
docosapentaenoate (n3 DPA; 22:5n3) 0.8585 0.9934 1.1449
docosapentaenoate (n6 DPA; 22:5n6) 0.9560 0.9588 1.0842
docosatrienoate (22:3n3) 0.7087 1.1031 1.1816
dodecadienoate (12:2)* 0.9452 0.9781 1.0754
dodecanedioate (C12-DC) 1.1553 0.8446 1.0037
dodecenedioate (C12:1-DC)* 0.8716 1.0274 1.0980
dopamine 3-O-sulfate 0.9164 1.2864 0.7953
ectoine 0.9831 0.9161 1.1005
EDTA 0.9624 1.0255 1.0112
eicosanedioate (C20-DC) 1.2563 0.8501 0.8993
eicosapentaenoate (EPA; 20:5n3) 1.0312 0.8984 1.0711
eicosenedioate (C20:1-DC)* 1.0726 0.8907 1.0384
eicosenoate (20:1) 0.9180 1.0286 1.0516
eicosenoylcarnitine (C20:1)* 1.0403 0.9977 0.9630
epiandrosterone sulfate 1.2646 0.8904 0.8511
ergothioneine 1.2620 0.7759 0.9681
erucate (22:1n9) 1.0220 1.0994 0.8791
erythritol 0.7551 1.5616 0.6777
erythronate* 0.8202 1.1231 1.0526
escitalopram 1.0086 0.8622 1.1294
ethyl alpha-glucopyranoside 1.6700 0.6610 0.6842
ethylmalonate 0.9358 0.9779 1.0848
ethylparaben sulfate 2.1528 0.4647 0.4087
etiocholanolone glucuronide 1.2104 0.8478 0.9466
eugenol sulfate 0.8376 1.2942 0.8645
febuxostat 1.0000 1.0000 1.0000
fexofenadine 1.0000 1.0000 1.0000
Fibrinopeptide A* 0.7691 0.7840 1.4416
Fibrinopeptide A (2-15)** 1.0000 1.0000 1.0000
Fibrinopeptide A (3-16)** 0.7127 0.7283 1.5524
Fibrinopeptide A (5-16)* 1.0000 1.0000 1.0000
Fibrinopeptide A, des-ala(1)* 0.1985 0.3630 2.4202
Fibrinopeptide A, phosphono-ser(3)* 0.6421 0.8762 1.4735
Fibrinopeptide B (1-11)** 1.0000 1.0000 1.0000
Fibrinopeptide B (1-12)** 0.5766 0.5766 1.8372
Fibrinopeptide B (1-13)** 0.2065 0.2173 2.5582
flavin adenine dinucleotide (FAD) 0.9480 1.0154 1.0355
fluoxetine 0.9002 1.1972 0.9002
formiminoglutamate 0.4748 1.2505 1.2628
fructose 0.8289 1.0581 1.1091
fructosyllysine 0.6562 1.1451 1.1909
fumarate 0.8613 1.1077 1.0278
gabapentin 0.6860 1.3787 0.9281
galactonate 0.9787 0.9435 1.0773
gamma-carboxyglutamate 0.8326 1.1518 1.0118
gamma-CEHC 0.9699 1.0588 0.9706
gamma-CEHC glucuronide* 0.6877 1.3314 0.9739
gamma-glutamyl-2-aminobutyrate 0.7300 0.9624 1.3014
gamma-glutamyl-alpha-lysine 0.8738 1.0526 1.0708
gamma-glutamylcitrulline* 1.2050 0.9051 0.8946
gamma-glutamyl-epsilon-lysine 0.9644 0.9494 1.0854
gamma-glutamylglutamate 0.6446 1.1671 1.1802
gamma-glutamylglutamine 1.1294 0.9163 0.9573
gamma-glutamylglycine 1.2869 0.8479 0.8718
gamma-glutamylhistidine 1.0278 0.9790 0.9939
gamma-glutamylisoleucine* 0.6432 1.1936 1.1551
gamma-glutamylleucine 0.7094 1.1268 1.1572
gamma-glutamylmethionine 0.9514 0.9753 1.0722
gamma-glutamylphenylalanine 0.7169 1.1563 1.1204
gamma-glutamylthreonine 0.9709 1.0292 0.9992
gamma-glutamyltryptophan 0.8334 1.0535 1.1093
gamma-glutamyltyrosine 0.7039 1.1401 1.1493
gamma-glutamylvaline 0.5802 1.2203 1.1899
gamma-tocopherol/beta-tocopherol 0.8475 1.1249 1.0241
genistein sulfate* 1.1055 0.6354 1.2616
gentisate 1.2249 0.9756 0.8047
GlcNAc sulfate conjugate of C21H34O2 steroid** 0.9124 0.9543 1.1313
gluconate 0.8313 1.1669 0.9980
glucose 0.8403 1.0951 1.0610
glucuronate 0.7331 1.0567 1.2041
glucuronide of C10H18O2 (7)* 0.7158 1.3770 0.9008
glucuronide of C10H18O2 (8)* 0.8381 1.1064 1.0518
glucuronide of piperine metabolite C17H21NO3 (4)* 0.8383 1.0884 1.0696
glucuronide of piperine metabolite C17H21NO3 (5)* 0.7589 1.3011 0.9345
glutamate 0.5444 1.2255 1.2198
glutamine 1.0342 0.9978 0.9688
glutamine conjugate of C6H10O2 (1)* 0.7353 1.3428 0.9159
glutamine conjugate of C6H10O2 (2)* 0.6250 1.3815 0.9849
glutamine conjugate of C7H12O2* 0.6408 1.4502 0.9008
glutarate (C5-DC) 0.8213 0.9058 1.2689
glutarylcarnitine (C5-DC) 0.8561 1.0623 1.0783
glyburide 1.0000 1.0000 1.0000
glycerate 1.1189 0.9466 0.9372
glycerol 0.8014 1.0868 1.1073
glycerol 3-phosphate 0.7590 1.0100 1.2255
glycerophosphoethanolamine 1.1334 0.9386 0.9311
glycerophosphoglycerol 1.0194 1.0728 0.9082
glycerophosphoinositol* 1.3114 0.8069 0.8888
glycerophosphorylcholine (GPC) 1.1790 0.8011 1.0240
glycine 1.2837 0.8446 0.8781
glycine conjugate of C10H12O2* 0.7823 1.0287 1.1841
glycine conjugate of C10H14O2 (1)* 0.7788 1.0645 1.1517
glyco-beta-muricholate** 0.7981 1.1381 1.0592
glycochenodeoxycholate 0.7044 1.1000 1.1889
glycochenodeoxycholate 3-sulfate 0.7378 1.1525 1.1038
glycochenodeoxycholate glucuronide (1) 0.6660 1.3006 1.0258
glycocholate 0.6600 1.1434 1.1889
glycocholate glucuronide (1) 0.7023 1.4313 0.8596
glycocholenate sulfate* 0.8003 1.1520 1.0432
glycodeoxycholate 0.5887 1.2644 1.1376
glycodeoxycholate 3-sulfate 0.9009 1.2043 0.8925
glycohyocholate 1.4575 0.5613 0.9916
glycolithocholate 0.6498 1.3809 0.9613
glycolithocholate sulfate* 0.8114 1.1942 0.9901
glycoursodeoxycholate 0.4632 1.3466 1.1780
glycoursodeoxycholic acid sulfate (1) 0.4748 1.4233 1.0900
guaiacol sulfate 1.0128 1.1868 0.8007
guanidinoacetate 1.7125 0.4392 0.8644
guanidinosuccinate 1.0076 0.9125 1.0800
gulonate* 0.7615 1.1146 1.1185
heme 0.6931 0.4165 1.8834
heptanoate (7:0) 1.0995 1.0328 0.8699
heptenedioate (C7:1-DC)* 0.7206 1.1787 1.0943
hexadecadienoate (16:2n6) 0.7721 1.0554 1.1673
hexadecanedioate (C16-DC) 0.7905 0.9508 1.2539
hexadecasphingosine (d16:1)* 0.7117 1.1707 1.1110
hexadecenedioate (C16:1-DC)* 0.9603 0.8931 1.1457
hexanoylcarnitine (C6) 0.7137 1.2382 1.0415
hexanoylglutamine 0.6117 1.2165 1.1630
hippurate 1.0823 1.1335 0.7862
histidine 1.1488 0.9243 0.9303
histidine betaine (hercynine)* 1.3158 0.7702 0.9212
homoarginine 0.8465 1.0372 1.1127
homocitrulline 0.7622 1.1160 1.1165
homostachydrine* 0.9177 1.0836 0.9968
hydantoin-5-propionate 0.5274 1.2984 1.1634
hydrochlorothiazide 0.1242 1.6825 1.1734
hydroquinone sulfate 0.8136 1.3473 0.8349
hydroxyasparagine** 0.7118 1.2007 1.0810
hydroxybupropion 0.7973 1.0474 1.1507
hydroxy-CMPF* 1.7161 0.6136 0.6867
hydroxy-N6,N6,N6-trimethyllysine* 0.9155 1.0453 1.0373
hydroxypioglitazone (M-IV) 0.9681 0.9681 1.0631
hyocholate 1.0058 1.0138 0.9805
hypotaurine 0.8817 0.9283 1.1873
hypoxanthine 0.7278 1.0516 1.2145
ibuprofen 0.3448 0.3223 2.3180
ibuprofen acyl glucuronide 0.9636 0.9636 1.0721
imidazole lactate 1.1010 0.9519 0.9494
imidazole propionate 0.7606 0.9841 1.2499
iminodiacetate (IDA) 1.0700 1.0060 0.9256
indoleacetate 0.9789 1.0057 1.0149
indoleacetylglutamine 0.6048 1.1059 1.2803
indolelactate 1.0006 0.9852 1.0142
indolepropionate 1.8162 0.6638 0.5386
indolin-2-one 1.0364 1.0923 0.8720
inosine 0.6093 0.6718 1.7100
inosine 5^-monophosphate (IMP) 0.9490 0.9713 1.0785
isobutyrylcarnitine (C4) 0.9252 0.9569 1.1163
isobutyrylglycine 1.1690 0.8685 0.9663
isocitrate 0.6447 1.4621 0.8851
isocitric lactone 0.7725 1.1606 1.0618
isoleucine 0.8215 1.0671 1.1074
isoursodeoxycholate 0.5010 1.3859 1.1017
isovalerate (i5:0) 0.8118 1.0969 1.0870
isovalerylcarnitine (C5) 0.7135 1.0925 1.1875
isovalerylglycine 1.2913 0.8310 0.8843
ketopioglitazone 0.9839 0.9839 1.0318
kynurenate 0.7531 1.0818 1.1594
kynurenine 0.8446 1.0808 1.0710
lactate 0.8014 1.1237 1.0703
lamotrigine 0.9834 0.9848 1.0314
lanthionine 0.8896 1.3188 0.7890
laurate (12:0) 1.2035 0.8332 0.9679
laurylcarnitine (C12) 0.8675 1.1078 1.0217
leucine 0.8285 1.0537 1.1139
leucylalanine 0.9634 1.1229 0.9129
leucylglycine 0.8900 1.1453 0.9622
leucylphenylalanine/isoleucylphenylalanine 1.1462 0.6206 1.2366
levulinate (4-oxovalerate) 1.0636 0.9112 1.0266
lignoceroylcarnitine (C24)* 1.1811 0.9699 0.8531
linoleate (18:2n6) 0.8777 1.0016 1.1179
linolenate [alpha or gamma; (18:3n3 or 6)] 0.9091 0.9867 1.1021
linolenoylcarnitine (C18:3)* 0.8937 1.0521 1.0518
linoleoylcarnitine (C18:2)* 0.9136 1.0320 1.0524
linoleoylcholine* 1.8286 0.6096 0.5806
linoleoyl ethanolamide 0.7850 1.0925 1.1177
lithocholate sulfate (1) 0.6233 1.4858 0.8824
lysine 0.9008 1.0374 1.0595
malate 0.9213 1.0715 1.0054
maleate 0.7088 1.2660 1.0186
malonate 1.0049 1.0061 0.9891
maltose 1.1792 0.8973 0.9275
maltotetraose 0.7645 1.0658 1.1644
maltotriose 0.9478 1.0140 1.0371
mannitol/sorbitol 0.7174 1.3861 0.8901
mannonate* 0.6356 1.1676 1.1885
mannose 0.6322 1.1927 1.1667
maprotiline 0.7922 1.4109 0.7922
margarate (17:0) 0.8415 1.0629 1.0920
margaroylcarnitine (C17)* 0.9305 1.0582 1.0097
metabolonic lactone sulfate 0.3690 1.2988 1.3178
metformin 0.1039 1.3619 1.5138
methionine 1.0004 0.9796 1.0200
methionine sulfone 1.0250 1.0513 0.9242
methionine sulfoxide 0.9424 1.0356 1.0207
methyl-4-hydroxybenzoate sulfate 1.0284 0.7155 1.2568
methyl glucopyranoside (alpha + beta) 1.6804 0.5747 0.7604
methyl indole-3-acetate 0.6978 1.0673 1.2280
methylmalonate (MMA) 1.0623 0.9912 0.9479
methylsuccinate 1.0905 0.9906 0.9210
metoprolol 0.7237 1.2587 1.0114
metoprolol acid metabolite* 0.0410 1.2305 1.7067
mycophenolic acid glucuronide 1.0000 1.0000 1.0000
myo-inositol 0.8894 1.0569 1.0512
myristate (14:0) 0.9235 0.9949 1.0799
myristoleate (14:1n5) 0.9389 1.0162 1.0435
myristoleoylcarnitine (C14:1)* 0.7986 1.1149 1.0820
myristoylcarnitine (C14) 0.7841 1.1167 1.0943
N1-Methyl-2-pyridone-5-carboxamide 0.7061 1.1210 1.1662
N1-Methyl-4-pyridone-3-carboxamide 0.7956 1.1221 1.0777
N1-methyladenosine 0.8801 1.0698 1.0473
N1-methylinosine 0.7319 1.1886 1.0734
(N(1) + N(8))-acetylspermidine 0.8393 1.0016 1.1554
N2-acetyllysine 0.7733 1.1345 1.0870
N2-acetyl,N6-methyllysine 1.1128 0.8366 1.0532
N2-acetyl,N6,N6-dimethyllysine 0.9697 0.9483 1.0813
N-(2-furoyl)glycine 0.6670 0.5223 1.8031
N2,N2-dimethylguanosine 0.7716 1.1518 1.0715
N2,N5-diacetylornithine 1.0631 1.0404 0.8980
N4-acetylcytidine 0.6253 1.2645 1.1017
N6-acetyllysine 0.9563 1.0382 1.0045
N6-carbamoylthreonyladenosine 0.7932 1.1147 1.0874
N6-methyllysine 1.0564 0.9542 0.9906
N6,N6-dimethyllysine 0.9239 1.0309 1.0435
N6,N6,N6-trimethyllysine 0.9798 1.0815 0.9382
N6-succinyladenosine 0.8392 1.1152 1.0420
N-acetyl-1-methylhistidine* 0.6430 1.1336 1.2153
N-acetyl-2-aminooctanoate* 1.1030 0.9708 0.9285
N-acetylalanine 0.8769 1.0653 1.0550
N-acetylalliin 1.0796 1.2984 0.6238
N-acetylarginine 0.9615 0.9989 1.0388
N-acetylasparagine 0.9191 1.0065 1.0727
N-acetylaspartate (NAA) 1.0426 1.0219 0.9365
N-acetyl-beta-alanine 0.9201 1.0128 1.0653
N-acetylcarnosine 0.8186 1.0519 1.1254
N-acetylcitrulline 0.6542 1.1406 1.1973
N-acetylglucosamine/N-acetylgalactosamine 0.7675 1.1209 1.1064
N-acetylglucosaminylasparagine 0.6941 1.1486 1.1504
N-acetylglutamate 0.8079 1.1242 1.0635
N-acetylglutamine 0.9102 1.0096 1.0781
N-acetylglycine 1.4421 0.6959 0.8721
N-acetylhistidine 1.2041 0.8812 0.9193
N-acetyl-isoputreanine 1.0810 0.9460 0.9748
N-acetylleucine 0.7769 1.0319 1.1861
N-acetylmethionine 0.9026 1.0744 1.0208
N-acetylneuraminate 0.8746 1.0841 1.0384
N-acetylphenylalanine 0.7532 1.0716 1.1696
N-acetylputrescine 0.9173 1.1212 0.9596
N-acetylserine 0.9018 1.0875 1.0085
N-acetyltaurine 0.9106 1.0381 1.0493
N-acetyltheanine 1.1677 0.9238 0.9122
N-acetylthreonine 0.9011 1.0644 1.0323
N-acetyltryptophan 0.8551 1.0394 1.1023
N-acetyltyrosine 0.7482 1.1078 1.1383
N-acetylvaline 0.8772 1.0544 1.0655
naproxen 0.1477 1.4373 1.3956
N-carbamoylaspartate 0.9609 1.0419 0.9964
N-delta-acetylornithine 1.1869 0.9526 0.8648
N-desmethyl tramadol 0.9338 1.0425 1.0223
nervonoylcarnitine (C24:1)* 1.0025 1.0512 0.9464
N-formylanthranilic acid 1.0278 0.9095 1.0634
N-formylmethionine 0.9432 1.0640 0.9915
nicotinamide 0.9891 0.8677 1.1430
nisinate (24:6n3) 0.8725 0.9278 1.1968
N-methylhydroxyproline** 1.1289 0.8223 1.0518
N-methylpipecolate 0.8610 1.1053 1.0306
N-methylproline 1.3880 0.7603 0.8605
N-methyltaurine 1.5010 0.9951 0.5153
N,N-dimethylalanine 1.2578 0.8619 0.8862
N,N,N-trimethyl-5-aminovalerate 0.7725 1.1523 1.0701
N,N,N-trimethyl-alanylproline betaine (TMAP) 0.8589 1.0511 1.0868
N-oleoylserine 1.0752 0.9434 0.9832
N-oleoyltaurine 0.9810 1.0017 1.0169
nonadecanoate (19:0) 1.0544 0.9658 0.9811
nonanoylcarnitine (C9) 0.7501 1.3912 0.8530
norfluoxetine 1.0000 1.0000 1.0000
N-oxalyl glycine (NOG) 1.2914 0.8918 0.8234
N-palmitoylglycine 1.0216 0.9770 1.0018
N-palmitoylserine 1.1324 0.9211 0.9495
N-palmitoyltaurine 0.7731 1.1413 1.0804
N-stearoyltaurine 0.9413 1.0032 1.0542
O-acetylhomoserine 0.6884 0.9914 1.3131
o-cresol sulfate 0.8858 1.1016 1.0100
octadecadienedioate (C18:2-DC)* 0.9903 1.0582 0.9513
octadecanedioate (C18-DC) 0.7600 0.9804 1.2542
octadecanedioylcarnitine (C18-DC)* 0.7060 0.9485 1.3388
octadecenedioate (C18:1-DC)* 1.0144 0.9619 1.0240
octadecenedioylcarnitine (C18:1-DC)* 0.7737 0.9710 1.2501
octanoylcarnitine (C8) 0.7901 1.3072 0.8979
O-desmethyltramadol glucuronide 0.8955 0.9924 1.1098
O-desmethylvenlafaxine 0.9046 0.9761 1.1171
oleamide 0.8280 1.0414 1.1267
oleate/vaccenate (18:1) 0.8619 1.0454 1.0896
oleoylcarnitine (C18:1) 0.8791 1.0688 1.0494
oleoylcholine 1.7765 0.6348 0.6064
oleoyl ethanolamide 0.8385 1.0933 1.0645
omeprazole 0.2836 2.2831 0.4170
ornithine 0.9668 1.0264 1.0061
orotate 0.8880 1.0981 1.0114
orotidine 0.5027 1.0521 1.4338
O-sulfo-L-tyrosine 0.9784 0.9998 1.0213
oxalate (ethanedioate) 1.0932 0.9538 0.9552
oxypurinol 0.9860 0.9927 1.0210
palmitate (16:0) 0.8490 1.0560 1.0916
palmitoleate (16:1n7) 0.7418 1.0876 1.1647
palmitoleoylcarnitine (C16:1)* 0.7563 1.1456 1.0926
palmitoloelycholine 1.5988 0.7109 0.7038
palmitoylcarnitine (C16) 0.8433 1.0640 1.0892
palmitoylcholine 1.7001 0.6800 0.6358
palmitoyl ethanolamide 0.8305 1.0060 1.1596
palmitoyl-sphingosine-phosphoethanolamine (d18:1/16:0) 1.0960 0.9334 0.9728
pantoate 0.9251 0.9899 1.0832
pantoprazole 1.0000 1.0000 1.0000
pantothenate 0.7174 1.1540 1.1222
paraxanthine 1.1904 0.9966 0.8173
paroxetine 0.9908 1.0182 0.9908
p-cresol glucuronide* 0.9297 1.2051 0.8636
p-cresol sulfate 1.0625 1.0497 0.8892
pelargonate (9:0) 0.9463 1.0529 0.9996
pentadecanoate (15:0) 0.9174 1.0240 1.0567
pentose acid* 1.2437 1.0026 0.7592
perfluorooctanesulfonate (PFOS) 0.8602 1.0687 1.0679
perfluorooctanoate (PFOA) 0.8842 1.1199 0.9932
phenol sulfate 0.7511 1.2446 0.9986
phenylacetylglutamate 0.7441 1.2771 0.9730
phenylacetylglutamine 0.8452 1.1566 0.9947
phenylalanine 0.9123 1.0291 1.0566
phenylalanylphenylalanine 0.2568 0.2565 2.4697
phenylalanyltryptophan 1.0519 1.0691 0.8802
phenyllactate (PLA) 0.9047 1.0611 1.0320
phenylpyruvate 0.9012 1.0206 1.0760
phosphate 1.0158 1.0143 0.9702
phosphoethanolamine 0.9257 0.9957 1.0769
phytanate 1.3606 0.8520 0.7956
picolinate 0.9069 0.9447 1.1463
picolinoylglycine 0.7008 1.1161 1.1763
pimelate (C7-DC) 0.7644 1.1000 1.1303
pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC) 1.3201 0.9218 0.7653
pioglitazone 1.0000 1.0000 1.0000
pipecolate 0.9471 1.2027 0.8490
piperine 1.0869 1.1331 0.7820
pregnanediol-3-glucuronide 1.6009 0.7423 0.6704
pregnanolone/allopregnanolone sulfate 1.2175 1.1567 0.6307
pregnenediol disulfate (C21H34O8S2)* 0.9600 0.9962 1.0429
pregnenediol sulfate (C21H34O5S)* 1.0980 0.8106 1.0936
pregnenetriol disulfate* 0.8157 1.0736 1.1065
pregnenetriol sulfate* 0.9346 0.8929 1.1710
pregnenolone sulfate 1.2109 0.8339 0.9600
pristanate 1.3260 0.8612 0.8202
pro-hydroxy-pro 1.1217 0.9749 0.9061
proline 0.9002 1.0651 1.0324
prolylglycine 0.8247 1.0014 1.1699
propionylcarnitine (C3) 0.7329 1.1079 1.1532
propionylglycine 1.4028 0.7979 0.8084
propyl 4-hydroxybenzoate sulfate 1.2301 1.0512 0.7239
pseudouridine 0.9299 1.0642 1.0042
pyridoxal 0.9703 1.0318 0.9972
pyridoxate 0.7646 1.2202 1.0099
pyroglutamine* 0.9409 1.1072 0.9505
pyrraline 1.2161 0.9448 0.8441
pyruvate 0.8209 1.1252 1.0498
quinate 1.4841 0.8057 0.7212
quinine 1.3686 0.8247 0.8150
quinolinate 0.5245 1.1626 1.3021
(R)-3-hydroxybutyrylcarnitine 0.4345 1.1974 1.3553
ranitidine 0.9848 0.9848 1.0301
resveratrol disulfate (1)* 1.0000 1.0000 1.0000
resveratrol disulfate (2)* 1.0000 1.0000 1.0000
resveratrol sulfate (1)* 1.0000 1.0000 1.0000
retinal 0.9406 1.0111 1.0470
retinol (Vitamin A) 0.9517 0.9928 1.0544
ribitol 0.8302 1.1042 1.0618
riboflavin (Vitamin B2) 0.7379 0.8699 1.3862
ribonate 0.8145 1.1521 1.0291
ribulonate/xylulonate/lyxonate* 0.9450 1.0760 0.9777
ritalinic acid 1.0164 0.9920 0.9920
rosuvastatin 1.0000 1.0000 1.0000
rosuvastatin lactone 1.0000 1.0000 1.0000
S-1-pyrroline-5-carboxylate 1.0698 0.9479 0.9839
(S)-3-hydroxybutyrylcarnitine 0.6236 1.2326 1.1352
(S)-a-amino-omega-caprolactam 0.8266 1.0708 1.0987
saccharin 0.2299 1.4081 1.3445
S-adenosylhomocysteine (SAH) 0.8297 1.0401 1.1263
salicylate 1.0138 0.9777 1.0088
salicyluric glucuronide* 0.5198 1.5293 0.9400
S-allylcysteine 1.4642 1.0793 0.4670
sarcosine 1.0727 0.9593 0.9696
sebacate (C10-DC) 0.7627 0.9154 1.3165
sedoheptulose 0.7056 1.2127 1.0751
serine 1.1242 0.9138 0.9649
serotonin 1.2023 0.7525 1.0499
sitagliptin 0.9924 0.9924 1.0149
S-methylcysteine 1.0701 1.0843 0.8472
S-methylcysteine sulfoxide 1.2388 0.9840 0.7827
spermidine 0.7732 0.8601 1.3615
spermine 0.5485 0.9669 1.4743
sphingadienine 0.7559 1.0947 1.1439
sphinganine 0.8614 1.0205 1.1150
sphinganine-1-phosphate 0.9227 0.9647 1.1108
sphingosine 0.7768 1.0928 1.1254
sphingosine 1-phosphate 0.9122 1.0051 1.0807
stachydrine 1.3586 0.9097 0.7398
stearate (18:0) 0.9462 1.0103 1.0423
stearidonate (18:4n3) 1.0256 0.9506 1.0245
stearoylcarnitine (C18) 1.0651 0.9746 0.9617
stearoylcholine* 1.7408 0.6355 0.6405
stearoyl ethanolamide 0.8768 0.9009 1.2195
suberate (C8-DC) 0.6966 0.9994 1.2972
suberoylcarnitine (C8-DC) 0.4823 1.1838 1.3221
succinate 0.9998 1.0291 0.9711
succinimide 1.0871 0.9296 0.9852
succinoyltaurine 0.7625 1.0414 1.1907
succinylcarnitine (C4-DC) 0.6834 1.1089 1.2005
sucrose 1.2890 1.0519 0.6656
sulfate* 0.9131 1.0193 1.0657
sulfate of piperine metabolite C16H19NO3 (2)* 1.0832 1.0126 0.9061
sulfate of piperine metabolite C16H19NO3 (3)* 1.0665 1.0214 0.9136
sulfate of piperine metabolite C18H21NO3 (1)* 1.0675 0.9216 1.0124
sulfate of piperine metabolite C18H21NO3 (3)* 1.0829 0.9224 0.9966
tadalafil 1.0000 1.0000 1.0000
tartronate (hydroxymalonate) 1.1601 0.9184 0.9252
taurine 1.0089 0.9475 1.0438
taurochenodeoxycholate 0.6561 1.1037 1.2324
taurochenodeoxycholic acid 3-sulfate 0.8452 0.9602 1.1911
taurocholate 0.5625 1.2136 1.2140
taurocholenate sulfate* 0.8204 0.9477 1.2278
taurodeoxycholate 0.5189 1.3151 1.1551
taurodeoxycholic acid 3-sulfate 0.9154 1.1403 0.9424
taurolithocholate 3-sulfate 0.9526 1.0042 1.0421
tetradecadienedioate (C14:2-DC)* 0.7677 1.0943 1.1328
tetradecadienoate (14:2)* 0.9796 1.0090 1.0109
tetradecanedioate (C14-DC) 0.9274 0.9487 1.1222
theanine 1.0000 1.0000 1.0000
theobromine 1.3611 0.8858 0.7612
theophylline 1.2064 1.0332 0.7651
thioproline 0.8598 1.0408 1.0963
threonate 0.8860 1.0493 1.0621
threonine 1.0687 0.9509 0.9820
thymol sulfate 1.0135 1.0582 0.9286
thyroxine 0.9531 1.0383 1.0076
tiglylcarnitine (C5:1-DC) 0.7086 1.0120 1.2728
topiramate 1.0000 1.0000 1.0000
tramadol 1.0000 1.0000 1.0000
trans-2-hexenoylglycine 1.0569 0.9664 0.9780
trans-4-hydroxyproline 1.0467 1.0807 0.8736
trans-urocanate 1.1034 0.8777 1.0213
trazadone 0.9945 0.9945 1.0108
triamterene 1.0000 1.0000 1.0000
tridecenedioate (C13:1-DC)* 0.8122 0.9961 1.1875
trigonelline (N^-methylnicotinate) 1.3765 1.0549 0.5771
trimethylamine N-oxide 0.5662 1.1859 1.2380
tryptophan 0.9764 0.9913 1.0317
tryptophan betaine 1.4152 0.7367 0.8575
tyramine O-sulfate 0.7215 1.2446 1.0277
tyrosine 0.8252 1.0690 1.1018
umbelliferone sulfate 0.5604 0.6749 1.7547
undecanedioate (C11-DC) 0.8001 0.7873 1.4081
undecenoylcarnitine (C11:1) 0.8804 1.0617 1.0552
uracil 0.9273 1.0420 1.0291
urate 0.7712 1.0954 1.1283
urea 0.8502 1.0211 1.1253
uridine 0.9579 0.9811 1.0600
ursodeoxycholate 0.5353 1.4162 1.0380
valine 0.8259 1.0385 1.1316
valsartan 0.7027 0.8565 1.4341
valylglycine 0.9476 0.9959 1.0553
vanillactate 0.6082 1.7175 0.6654
vanillic acid glycine 1.5842 0.7513 0.6778
vanillic alcohol sulfate 0.7820 0.6927 1.5203
vanillylmandelate (VMA) 0.9340 1.0140 1.0505
venlafaxine 0.8527 0.7983 1.3456
verapamil 0.9304 1.1377 0.9304
warfarin 1.0000 1.0000 1.0000
xanthine 0.7184 1.0057 1.2696
xanthurenate 0.8886 0.9473 1.1616
ximenoylcarnitine (C26:1)* 0.9766 1.0707 0.9522
xylose 0.8046 1.0962 1.0947
zolpidem 0.9580 1.0830 0.9580
Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

F1Group:Lean
F2Group:Obese neuropathy
F3Group:Obese non neuropathy
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