Data for Alterations in Lipid, Amino Acid, and Energy Metabolism Distinguish Crohn Disease from Ulcerative Colitis and Control Subjects by Serum Metabolomic Profiling (Study ST000899)

(Analysis AN001464)

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

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MetaboliteF1F2F3
10-heptadecenoate (17:1n7) 1.5075 0.4519 1.0405
10-nonadecenoate (19:1n9) 1.3678 0.4237 1.2085
10-undecenoate (11:1n1) 1.1168 0.6785 1.2047
1-(1-enyl-stearoyl)-GPE (P-18:0) 1.0170 0.9602 1.0228
12,13-DiHOME 0.8050 0.4554 1.7396
1,2,3-benzenetriol sulfate (2) 1.2272 0.9118 0.9423
12-HETE 0.6988 1.0554 1.2458
1,3,7-trimethylurate 0.7444 1.3412 0.8002
1,3-dimethylurate 1.1264 0.9161 0.9109
13-HODE + 9-HODE 0.9815 0.3649 1.6535
13-methylmyristate 1.1108 0.7106 1.1787
1,5-anhydroglucitol (1,5-AG) 1.1493 0.7180 1.1326
15-methylpalmitate 1.2189 0.5993 1.1818
16a-hydroxy DHEA 3-sulfate 1.3021 0.6840 1.0139
16-hydroxypalmitate 1.2937 0.5824 1.1239
17alpha-hydroxypregnenolone sulfate 0.8221 1.2058 0.9791
1,7-dimethylurate 1.2346 0.8591 0.8830
17-methylstearate 1.1476 0.6469 1.2055
1-arachidonoyl-GPI (20:4) 1.2904 0.7474 0.9623
1-arachidonylglycerol (20:4) 1.1739 0.8783 0.9477
1-dihomo-linolenylglycerol (20:3) 0.9278 1.0900 0.9822
1-dihomo-linoleoylglycerol (20:2) 1.1075 0.9281 0.9644
1-docosahexaenoylglycerol (22:6) 1.2214 0.6425 1.1362
1-hydroxy-2-naphthalenecarboxylate NA 0.0154 1.3282
1-linolenoylglycerol (18:3) 0.9267 1.1128 0.9606
1-linoleoylglycerol (18:2) 0.9256 1.0878 0.9866
1-linoleoyl-GPA (18:2) 0.9531 1.0615 0.9854
1-linoleoyl-GPI (18:2) 1.2477 0.7968 0.9555
1-methylhistidine 1.2239 0.7346 1.0415
1-methylurate 1.0357 1.2074 0.7569
1-methylxanthine 0.8067 1.1782 0.9909
1-myristoylglycerol (14:0) 0.7464 1.3838 0.8698
1-oleoylglycerol (18:1) 1.0344 0.9508 1.0148
1-oleoyl-GPA (18:1) 1.0515 0.9467 1.0220
1-oleoyl-GPI (18:1) 1.0433 1.1209 0.8357
1-palmitoleoylglycerol (16:1) 0.9769 0.9860 1.0371
1-palmitoylglycerol (16:0) 1.0426 0.9624 0.9950
1-palmitoyl-GPA (16:0) 1.0964 0.9278 0.9758
1-palmitoyl-GPG (16:0) 1.0568 1.0684 0.8235
1-palmitoyl-GPI (16:0) 1.1772 0.8721 0.9507
1-stearoyl-GPI (18:0) 1.2260 0.7866 0.9875
21-hydroxypregnenolone disulfate 1.1044 0.9563 0.9372
2-aminoadipate 1.2628 0.8208 0.9164
2-aminobutyrate 1.3616 0.6232 1.0152
2-aminophenol sulfate 0.3307 1.1434 0.7130
2-arachidonoylglycerol (20:4) 1.1295 0.9150 0.9620
2^-deoxyuridine 1.3639 0.5625 1.0518
2-hydroxy-3-methylvalerate 1.0650 1.0605 0.8745
2-hydroxyacetaminophen sulfate 0.7794 1.3602 0.6949
2-hydroxydecanoate 0.9178 1.2354 0.8468
2-hydroxyhippurate (salicylurate) 0.3525 0.2021 2.4868
2-hydroxyoctanoate 0.9691 1.2028 0.8281
2-hydroxypalmitate 1.1527 0.7313 1.1160
2-hydroxystearate 1.1377 0.7712 1.0910
2-linoleoylglycerol (18:2) 0.8818 1.1460 0.9722
2-methoxyacetaminophen glucuronide 0.8599 0.9737 1.0810
2-methoxyacetaminophen sulfate 0.9867 1.0335 0.9558
2-methoxyresorcinol sulfate 0.3116 0.9649 2.6572
2-methylcitrate/homocitrate 1.1161 0.9071 0.9768
2-oleoylglycerol (18:1) 1.0579 0.8724 1.0696
2-palmitoleoylglycerol (16:1) 0.9834 0.9844 1.0351
2-palmitoylglycerol (16:0) 1.0429 0.9964 0.9607
2-stearoyl-GPE (18:0) 1.0149 0.9597 1.0254
3-(4-hydroxyphenyl)lactate 1.2101 0.8087 0.9812
3,7-dimethylurate 0.6484 1.3257 0.5417
3b-hydroxy-5-cholenoic acid 1.2071 0.7374 0.9071
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF) 1.5045 0.2637 1.2318
3-hydroxydecanoate 1.5154 0.5263 0.9583
3-hydroxyhexanoate 1.4555 0.4429 1.1016
3-hydroxyhippurate 0.2199 1.3492 0.1154
3-hydroxylaurate 1.5746 0.5335 0.8919
3-hydroxymyristate 1.5733 0.5664 0.8603
3-hydroxyoctanoate 1.4426 0.5334 1.0240
3-hydroxypyridine sulfate 0.3824 1.6918 0.3607
3-hydroxysebacate 1.2426 0.2765 1.1675
3-indoxyl sulfate 0.6304 1.8279 0.5830
3-methoxycatechol sulfate (2) 1.2255 0.9099 1.0221
3-methyl-2-oxobutyrate 1.2488 0.6894 1.0618
3-methyl-2-oxovalerate 1.1994 0.7488 1.0518
3-methyl catechol sulfate (1) 0.2607 1.5293 0.4665
3-methylhistidine 0.8046 1.3083 0.8870
3-methylxanthine 0.8229 1.3908 0.7461
3-(N-acetyl-L-cystein-S-yl) acetaminophen 0.6229 1.2193 0.7654
3-phenylpropionate (hydrocinnamate) 0.8328 1.1330 0.8065
4-acetamidobutanoate 1.1818 0.8262 0.9920
4-acetamidophenol 0.2193 1.4436 0.7794
4-acetamidophenylglucuronide 0.3560 1.4703 0.6319
4-acetaminophen sulfate 0.2946 1.4612 0.7227
4-allylphenol sulfate 1.9071 0.4701 0.6227
4-androsten-3alpha,17alpha-diol monosulfate (2) 0.8824 0.9461 1.2076
4-androsten-3alpha,17alpha-diol monosulfate (3) 0.9577 0.9530 1.0869
4-androsten-3beta,17beta-diol disulfate (1) 1.2137 1.0610 0.7253
4-androsten-3beta,17beta-diol disulfate (2) 1.1744 0.8349 0.9906
4-androsten-3beta,17beta-diol monosulfate (1) 1.0965 1.0761 0.8274
4-androsten-3beta,17beta-diol monosulfate (2) 1.0110 1.1790 0.8189
4-ethylphenylsulfate 0.5341 1.5093 0.9110
4-hydroxychlorothalonil 1.6056 0.7975 0.5969
4-hydroxyhippurate 0.8089 0.7251 1.5177
4-hydroxyphenylacetate 0.3670 1.3620 0.7278
4-hydroxyphenylpyruvate 1.0770 1.0419 0.8749
4-methyl-2-oxopentanoate 1.2521 0.6933 1.0546
4-methylcatechol sulfate 0.2736 1.9358 0.3633
4-vinylphenol sulfate 0.6398 1.7990 0.5381
5,6-dihydrothymine 1.2129 0.6920 1.0353
5alpha-androstan-3alpha,17beta-diol disulfate 1.0585 0.7339 1.2136
5alpha-androstan-3alpha,17beta-diol monosulfate (1) 1.2148 0.9032 0.8701
5alpha-androstan-3alpha,17beta-diol monosulfate (2) 1.1300 0.6654 1.1819
5alpha-androstan-3beta,17alpha-diol disulfate 1.4354 0.5747 0.9185
5alpha-androstan-3beta,17beta-diol disulfate 1.2741 0.8411 0.8787
5alpha-androstan-3beta,17beta-diol monosulfate (2) 1.3155 0.9232 0.7416
5alpha-pregnan-3(alpha or beta),20beta-diol disulfate 0.3639 0.7819 1.8543
5alpha-pregnan-3beta,20alpha-diol disulfate 0.5593 1.0708 1.3699
5alpha-pregnan-3beta,20alpha-diol monosulfate (2) 0.3040 1.1256 1.8660
5alpha-pregnan-3beta,20beta-diol monosulfate (1) 0.3036 0.8668 1.9866
5-bromotryptophan 1.1241 0.7623 1.1136
5-dodecenoate (12:1n7) 1.5286 0.4773 0.9941
5-hydroxyhexanoate 1.0179 0.7319 1.1989
5-methyluridine (ribothymidine) 1.1027 0.8239 1.0735
5-oxoproline 1.0832 0.8114 1.1055
6-hydroxyindole sulfate 0.5698 1.9424 0.5349
6-oxopiperidine-2-carboxylic acid 1.1239 0.8696 1.0065
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca) 0.9522 1.2122 0.8356
7-methylurate 0.6939 1.5596 0.6212
9,10-DiHOME 0.7486 0.2911 1.9603
9-hydroxystearate 1.1519 0.7247 1.1172
acesulfame 0.7554 2.1973 0.2379
acisoga 1.1377 0.6080 1.1955
aconitate [cis or trans] 1.2358 0.8036 0.9606
adrenate (22:4n6) 1.5730 0.5062 0.9208
alpha-hydroxycaproate 1.0026 1.0784 0.9271
alpha-hydroxyisocaproate 1.2716 0.6671 1.0613
alpha-hydroxyisovalerate 1.1862 0.9456 0.8683
alpha-ketobutyrate 1.3751 0.5373 0.9461
andro steroid monosulfate (1) 1.1324 0.8272 1.0065
androsterone sulfate 1.2292 0.8144 0.9564
arachidate (20:0) 0.9953 0.7533 1.2513
arachidonate (20:4n6) 1.2356 0.7915 0.9730
aspartate 1.0956 0.9395 0.9649
azelate (nonanedioate) 1.0554 0.6330 1.3116
benzoate 1.0032 0.9927 1.0040
beta-hydroxyisovalerate 0.6508 1.8275 0.5216
bilirubin (E,E) 1.3377 0.5963 1.0660
bilirubin (Z,Z) 1.2894 0.6747 1.0359
biliverdin 1.3204 0.3644 1.3152
butyrylglycine 0.8941 1.2037 0.9777
caprate (10:0) 1.0752 0.9049 1.0199
caproate (6:0) 1.0650 0.9038 1.0239
caprylate (8:0) 1.1049 0.9108 0.9842
catechol sulfate 0.2681 2.4031 0.1611
celecoxib NA 1.0000 NA
C-glycosyltryptophan 1.1635 0.7461 1.0904
chenodeoxycholate 0.9490 1.7138 0.3372
cinnamoylglycine 1.5409 0.8370 0.5073
citrate 1.3222 0.7610 0.9168
cortisol 1.4029 0.5663 1.0101
cortisone 1.3751 0.6943 0.9444
cysteine s-sulfate 0.9480 1.1771 0.8749
cytidine 0.9581 0.8075 1.2344
dehydroisoandrosterone sulfate (DHEA-S) 1.1693 0.9595 0.8713
deoxycholate 1.2497 1.5157 0.2346
dihomo-linoleate (20:2n6) 1.4199 0.4839 1.0962
dihomo-linolenate (20:3n3 or n6) 1.1420 0.8445 1.0135
dihydroferulic acid NA 1.0000 NA
docosadienoate (22:2n6) 1.2479 0.5331 1.2190
docosahexaenoate (DHA; 22:6n3) 1.3815 0.5110 1.1074
docosapentaenoate (n3 DPA; 22:5n3) 1.4096 0.5319 1.0585
docosapentaenoate (n6 DPA; 22:5n6) 1.2387 0.6698 1.0915
docosatrienoate (22:3n3) 1.2451 0.5796 0.9983
dodecanedioate 1.2193 0.4825 1.2982
dopamine sulfate (2) 0.8696 1.0780 1.0551
DSGEGDFXAEGGGVR 1.0260 0.8631 1.1110
eicosanodioate 0.9085 1.0775 1.0140
eicosapentaenoate (EPA; 20:5n3) 1.2993 0.5794 1.1213
eicosenoate (20:1) 1.3480 0.4209 1.2311
epiandrosterone sulfate 1.3736 0.7577 0.8687
erucate (22:1n9) 1.1513 0.5758 1.2728
ethyl glucuronide 0.1696 10.0023 0.3446
etiocholanolone glucuronide 1.3146 0.7302 0.9352
eugenol sulfate 1.1574 1.1222 0.5807
gamma-CEHC 0.9441 1.4682 0.5877
gamma-CEHC glucuronide 0.9711 1.0120 NA
gamma-glutamylisoleucine 1.1507 0.7994 1.0525
gamma-glutamylmethionine 1.1015 0.9741 0.9243
gamma-glutamyltryptophan 1.1869 0.7745 1.0142
gamma-glutamyltyrosine 1.1722 0.8672 0.9607
glycerol 1.3193 0.5971 1.0837
glycerophosphoinositol 1.2376 0.8285 0.9339
glycochenodeoxycholate 0.6248 1.8739 0.5013
glycochenodeoxycholate glucuronide (1) 0.9024 1.4701 0.4271
glycochenodeoxycholate glucuronide (2) 1.4086 0.3379 0.3518
glycochenodeoxycholate sulfate 0.7251 1.5240 0.7523
glycocholate 0.4232 1.8897 0.6872
glycocholenate sulfate 1.1444 0.7325 1.1231
glycodeoxycholate 0.7628 1.9658 0.3188
glycodeoxycholate sulfate 0.9424 1.4665 0.5422
glycohyocholate 0.4609 1.3769 1.0114
glycolithocholate 0.2645 1.8826 NA
glycolithocholate sulfate 1.4244 0.9426 0.5827
glycoursodeoxycholate 0.6710 1.7170 0.5241
guanosine 1.1509 0.9625 0.8941
hexadecanedioate 1.4450 0.3464 1.2087
hippurate 0.7342 1.7540 0.5118
homocitrulline 1.4208 0.6710 0.9292
hydrochlorothiazide 1.0000 NA NA
hydroquinone sulfate 0.5764 1.3045 0.6116
hypoxanthine 1.0546 0.6886 1.2568
ibuprofen 1.6606 0.8180 0.6410
indoleacetate 0.7303 1.5439 0.7258
indolelactate 1.0373 1.0834 0.8793
inosine 1.0049 0.9586 1.0365
isobutyrylglycine 0.8970 1.1335 0.9830
isoeugenol sulfate 0.4741 1.3416 0.8427
isovalerate 1.2841 0.6885 1.0274
isovalerylglycine 0.6139 1.1626 0.8238
I-urobilinogen 1.2128 0.8444 0.7371
lactate 1.0737 0.9557 0.9706
laurate (12:0) 1.0609 0.8716 1.0675
linoleate (18:2n6) 1.3075 0.5624 1.1301
linolenate [alpha or gamma; (18:3n3 or 6)] 1.3844 0.4228 1.1927
linoleoyl ethanolamide 1.2105 0.6188 1.1707
malate 1.1253 0.7730 1.1017
margarate (17:0) 1.3592 0.5414 1.0994
mead acid (20:3n9) 1.2734 0.6718 1.0547
methyl-4-hydroxybenzoate sulfate 1.3660 0.1134 1.5988
methyl glucopyranoside (alpha + beta) 1.1931 0.8673 0.8836
myristate (14:0) 1.2990 0.6011 1.0999
myristoleate (14:1n5) 1.5344 0.4373 1.0284
N-(2-furoyl)glycine 0.1331 1.2939 0.0957
N6-acetyllysine 1.1633 0.8191 1.0176
N6-carbamoylthreonyladenosine 1.1524 0.7686 1.0791
N6-succinyladenosine 1.1076 0.7961 1.0584
N-acetyl-beta-alanine 1.0771 0.8067 1.1162
N-acetylcitrulline 0.7839 1.2603 1.0469
N-acetylglutamine 1.0212 0.9150 1.0638
N-acetylglycine 1.3029 0.5612 1.1359
N-acetylhistidine 1.1048 0.8872 1.0080
N-acetylisoleucine 1.1100 0.8332 1.0568
N-acetylleucine 1.1760 0.8061 1.0179
N-acetylmethionine 1.1727 0.7491 1.0782
N-acetylphenylalanine 1.0774 0.9522 0.9704
N-acetyltaurine 1.1015 0.9776 0.9209
N-acetyltryptophan 0.9875 0.9968 1.0156
N-acetyltyrosine 1.1278 0.8752 0.9837
N-acetylvaline 1.1793 0.8023 1.0184
N-formylmethionine 1.1856 0.7852 1.0292
N-formylphenylalanine 0.9754 0.8859 1.1113
N-linoleoylglycine 1.1194 0.5867 1.1500
N-oleoyltaurine 1.2149 0.6463 1.0537
nonadecanoate (19:0) 1.1084 0.6987 1.1929
N-palmitoylglycine 1.1524 0.6517 1.1959
o-cresol sulfate 0.5246 1.2382 0.9312
octadecanedioate 1.0751 0.4719 1.4266
oleate/vaccenate (18:1) 1.3338 0.5328 1.1334
olmesartan 1.0000 NA NA
omeprazole NA 1.2418 0.0328
O-methylcatechol sulfate 0.4161 1.7811 0.3137
O-sulfo-L-tyrosine 1.1873 0.7567 1.0560
oxalate (ethanedioate) 1.1096 0.8911 0.9992
palmitate (16:0) 1.2716 0.6412 1.0872
palmitic amide 1.0495 0.9748 0.9757
palmitoleate (16:1n7) 1.4956 0.4480 1.0564
palmitoyl ethanolamide 1.1604 0.7639 1.0757
pantothenate 1.0936 0.7741 1.1323
paraxanthine 0.9088 1.1568 0.8997
p-cresol-glucuronide 0.2368 1.5602 0.5398
p-cresol sulfate 0.6060 1.9116 0.4824
pentadecanoate (15:0) 1.1823 0.7773 1.0404
phenol sulfate 1.0383 1.3728 0.5889
phenyllactate (PLA) 1.1059 1.1004 0.7937
phosphate 1.0062 0.9739 1.0199
phosphoethanolamine 0.9728 0.8901 1.1372
pipecolate 0.9254 1.2274 0.8472
pregnanediol-3-glucuronide 0.5629 0.8658 1.6273
pregnanolone/allopregnanolone sulfate 0.2338 0.7599 1.5854
pregnen-diol disulfate 0.9938 1.0696 0.9366
pregnenolone sulfate 0.9509 1.0070 1.0446
pregn steroid monosulfate 0.9435 0.9412 1.1153
proline 0.9804 1.1507 0.8689
propionylglycine 0.6699 1.1876 0.7448
propyl 4-hydroxybenzoate sulfate 1.2686 0.0814 1.3215
pseudouridine 1.1169 0.7598 1.1233
pyridoxate 0.6988 1.6262 0.6750
saccharin 1.6034 0.9106 0.3769
S-adenosylhomocysteine (SAH) 1.0268 0.5286 1.1156
sebacate (decanedioate) 1.2396 0.3148 1.4456
S-methylcysteine 1.2177 0.8219 0.9603
stearate (18:0) 1.1668 0.6633 1.1699
stearidonate (18:4n3) 1.3854 0.5944 1.0201
suberate (octanedioate) 1.0307 0.6042 1.3468
sucrose 0.1504 2.4316 0.2980
sulfate 1.1898 0.8647 0.9455
taurochenodeoxycholate 0.7700 1.5374 0.5664
taurocholate 0.6880 1.4288 0.7450
taurocholenate sulfate 1.5311 0.5638 0.9051
taurodeoxycholate 0.6738 1.4738 0.7173
taurolithocholate 3-sulfate 1.7493 0.5418 0.4730
tauroursodeoxycholate 0.8364 1.1785 0.8016
tetradecanedioate 1.6203 0.3348 1.0449
theophylline 1.2484 0.8635 0.8683
thymol sulfate 1.5993 0.3408 1.0705
thyroxine 1.0688 0.8730 1.0583
tricosenoate (23:1) 1.0922 1.0552 0.8553
umbelliferone sulfate 1.9651 0.4227 0.3214
uracil 1.0546 0.9233 1.0056
urate 1.1931 0.7943 1.0127
uridine 1.1386 0.7901 1.0714
ursodeoxycholate 0.2386 1.7494 0.0964
valsartan 1.0000 NA NA
vanillylmandelate (VMA) 1.2103 0.7598 1.0299
xanthine 1.1577 0.7279 1.1144
xanthosine 0.9870 1.0614 0.9696
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Factors:

F1Type:Control
F2Type:Crohn disease
F3Type:Ulcerative Colitis
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