Data for A Compromised Developmental Trajectory of the Infant Gut Microbiome and Metabolome in Atopic Eczema - (untargeted global metabolomics profiling) ) (Study ST001432)

(Analysis AN002394)

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

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MetaboliteF1F2
10,12-Tricosadiynoic acid, trimethylsilyl ester 0.9713 1.0294
11-cis-Octadecenoic acid, trimethylsilyl ester 1.0934 0.9043
1,3-Bis(trimethylsiloxy)benzene 1.5259 0.4610
1,4-Butanediamine, N,N,N^,N^-tetrakis(trimethylsilyl)- 1.0372 0.9619
1H-Indole-3-ethanamine, N,N,1-tris(trimethylsilyl)- 1.1809 0.8146
1H-Indole-3-propanoic acid, 1-(trimethylsilyl)-, trimethylsilyl ester 1.0518 0.9469
1-Monooleoylglycerol trimethylsilyl ether 0.8340 1.1701
1-O-hexadecylglycerol - bis-trimethylsilyl ether derivative 1.0409 0.9581
2-Butenedioic acid (E)-, bis(trimethylsilyl) ester 1.0596 0.9389
2-Butenedioic acid (E)-, bis(trimethylsilyl) ester:2 0.2939 1.7238
2-Butenedioic acid (E)-, bis(trimethylsilyl) ester:3 0.7272 1.2796
2-Butenedioic acid (E)-, bis(trimethylsilyl) ester:4 1.0108 0.9889
2-Butenoic acid, 3-methyl-2-[(trimethylsilyl)oxy]-, trimethylsilyl ester 1.4152 0.5745
2-Deoxy-galactopyranose, tetrakis(trimethylsilyl) 0.7594 1.2466
2-Deoxy-galactopyranose, tetrakis(trimethylsilyl):2 1.1007 0.8968
2-Desoxy-pentos-3-ulose, bis(methoxime),O,O^-bis(trimethylsilyl)-:2 1.0954 0.9022
2-Ethyl-3-trimethylsilyloxy(trimethylsilyl)butyrate 1.3670 0.6238
2-Furanacetaldehyde, tetrahydro-à,3,4,5-tetrakis[(trimethylsilyl)oxy]- 1.0959 0.9017
2-Hydroxyisocaproic acid, trimethylsilyl ether, trimethylsilyl ester 0.5926 1.4176
2-hydroxypyridine 1.0135 0.9861
2-Piperidinecarboxylic acid, trimethylsilyl ester 0.8253 1.1791
2-Piperidinone 1.0885 0.9093
2-Pyrrolidone-5-carboxylic acid, trimethylsilyl ester 0.7701 1.2357
3,3-Dichloropropyne 0.7293 1.2774
3,4,5-Trihydroxypentanoic acid, tetrakis(trimethylsilyl)- 0.7561 1.2500
3,6-Dioxa-2,7-disilaoctane, 2,2,4,7,7-pentamethyl- 1.6544 0.3292
3,8-Dioxa-2,9-disiladecane, 2,2,9,9-tetramethyl-5,6-bis[[(trimethylsilyl)oxy]methyl]- 0.9066 1.0958
3-indolelactic acid 2 1.0124 0.9873
3-Phenyl-3-trimethylsilyloxypropanoic acid, trimethylsilyl ester 0.9432 1.0582
3-Pyridinecarboxylic acid, trimethylsilyl ester 0.9610 1.0399
4-guanidinobutyric acid 2 0.8936 1.1091
4-hydroxypyridine 1.0074 0.9924
4-Ketoglucose, bis(O-methyloxime), tetrakis(trimethylsilyl) 0.8572 1.1463
4-N,N-Dimethylamino(trimethylsilyl)butyrate 0.3181 1.6990
4-Trimethylsiloxy(trimethylsilyl)valerate 1.0315 0.9677
5-aminovaleric acid 1 1.0989 0.8987
5H-Cyclopenta[b]pyridine-3-carbonitrile, 6,7-dihydro-2-mercapto- 1.1097 0.8875
5-Trimethylsilyloxy-n-valeric acid, trimethylsilyl ester 0.7571 1.2490
6-deoxy-D-glucose 2 0.9194 1.0827
9,12-Octadecadienoic acid, methyl ester, (E,E)- 0.8192 1.1854
9,12-Octadecadienoic acid (Z,Z)-, trimethylsilyl ester 1.0950 0.9026
9-Octadecenoic acid (Z)-, methyl ester 1.0682 0.9301
Acetic acid, [(trimethylsilyl)oxy]-, trimethylsilyl ester 1.3687 0.6221
à-D-Galactopyranoside, methyl 2,3,4,6-tetrakis-O-(trimethylsilyl)- 1.1199 0.8771
á-Eudesmol, trimethylsilyl ether 0.9341 1.0675
á-Hydroxypyruvic acid, trimethylsilyl ether, trimethylsilyl ester 0.8306 1.1737
ALK_Benzoic acid, 4-hydroxy- (2TMS) 0.6498 1.3590
ALK_Cytosine (2TMS) 0.8816 1.1214
ALK_Glycyl-proline (3TMS) 1.0195 0.9800
ALK_Lysine (4TMS) 1.5987 0.3863
ALK_NA 1.1196 0.8774
ALK_Pantothenic acid, D- (3TMS) 0.9807 1.0198
ALK_Pinitol, D- (5TMS) 1.0161 0.9835
ALK_Propane-1,2-diol, 3-amino (4TMS) 1.0909 0.9068
ALK_Putrescine, N-acetyl- (2TMS) 1.1665 0.8293
ALK_Tryptamine, 5-hydroxy- (3TMS) 1.0352 0.9640
Arabinofuranose, 1,2,3,5-tetrakis-O-(trimethylsilyl)- 0.4123 1.6023
Arabitol, TMS 0.8861 1.1167
Arabitol, TMS:2 1.1592 0.8368
Arabitol, TMS:3 0.9885 1.0118
à-Tocopherol (vitamin E), trimethysilyl derivative 1.1086 0.8887
Benzeneacetic acid, trimethylsilyl ester 1.1335 0.8631
Benzenepropanoic acid, 3-[(trimethylsilyl)oxy]-, trimethylsilyl ester 1.0643 0.9341
Benzenepropanoic acid, à,4-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester 0.9168 1.0853
Benzenepropanoic acid, à-[(trimethylsilyl)oxy]-, trimethylsilyl ester 0.9482 1.0531
Benzoic acid trimethylsilyl ester 0.8601 1.1434
Beta- alanine 1 0.9653 1.0356
Butanal, 2,3,4-tris[(trimethylsilyl)oxy]-, O-methyloxime, [R-(R*,R*)]- 1.2163 0.7783
Butane, 1,2,3-tris(trimethylsiloxy)- 1.0527 0.9460
Butane, 1,2,4-tris(trimethylsiloxy)- 0.7576 1.2484
Butane, 2,3-bis(trimethylsiloxy)-:3 0.7418 1.2646
Butane, 2,3-bis(trimethylsiloxy)-:4 0.9692 1.0316
Butane, 2,3-bis(trimethylsiloxy)-:5 1.1190 0.8781
Butanedioic acid, bis(trimethylsilyl) ester 1.0241 0.9753
Butanoic acid, 2,4-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester 1.1020 0.8955
Butanoic acid, 2-(methoxyimino)-3-methyl-, trimethylsilyl ester 1.0396 0.9594
Butanoic acid, 2-(methoxyimino)-3-methyl-, trimethylsilyl ester:2 1.1646 0.8313
Butanoic acid, 2-[(trimethylsilyl)oxy]-, trimethylsilyl ester 1.0995 0.8980
Butanoic acid, 3-methyl-2-[(trimethylsilyl)oxy]-, trimethylsilyl ester 0.9363 1.0653
Butanoic acid, 4-[bis(trimethylsilyl)amino]-, trimethylsilyl ester:2 1.0061 0.9937
Butanoic acid, 4-[(trimethylsilyl)oxy]-, trimethylsilyl ester 0.9628 1.0381
Cadaverine, N,N,N^,N^-tetrakis(trimethylsilyl):2 0.8596 1.1439
Cadaverine tri-TMS 1.1324 0.8643
Cadaverine tri-TMS:2 1.1484 0.8479
Cholesterol 0.9092 1.0931
cis-4-Trimethylsilyloxy-cyclohexyl(trimethylsilyl)carboxylate 1.0635 0.9349
Citramalic acid 1.0055 0.9944
Cyclohexanecarboxylic acid, trimethylsilyl ester 0.6407 1.3683
Decanoic acid, trimethylsilyl ester 1.0900 0.9077
d-Erythrotetrofuranose, tris-O-(trimethylsilyl)- 1.0161 0.9835
d-Galactose, 2,3,4,5,6-pentakis-O-(trimethylsilyl)-, o-methyloxyme, (1E)- 1.0782 0.9199
d-Galactose, 2,3,4,5,6-pentakis-O-(trimethylsilyl)-, o-methyloxyme, (1E)-:2 0.8935 1.1092
d-Galactose, 2,3,4,5,6-pentakis-O-(trimethylsilyl)-, o-methyloxyme, (1Z)- 1.1708 0.8249
d-Galactose, 2,3,4,5,6-pentakis-O-(trimethylsilyl)-, o-methyloxyme, (1Z)-:2 1.0193 0.9803
D-Galactose, 6-deoxy-2,3,4,5-tetrakis-O-(trimethylsilyl)-, O-methyloxime 1.1846 0.8108
D-Gluconic acid, 2,3,4,5,6-pentakis-O-(trimethylsilyl)-, trimethylsilyl ester 0.9786 1.0219
d-Glucose, 2,3,4,5,6-pentakis-O-(trimethylsilyl)-, o-methyloxyme, (1E)- 1.4574 0.5311
d-Glucose, 2,3,4,5,6-pentakis-O-(trimethylsilyl)-, o-methyloxyme, (1Z)- 1.0289 0.9704
d-Glucose, 2,3,4,5,6-pentakis-O-(trimethylsilyl)-, o-methyloxyme, (1Z)-:2 0.9655 1.0354
DL-glyceraldehyde 1 0.8048 1.2001
DL-glyceraldehyde 2 0.9843 1.0161
DL-Ornithine, N,N,N^-tris(trimethylsilyl)-, trimethylsilyl ester 0.9691 1.0317
d-Mannose, 2,3,4,5,6-pentakis-O-(trimethylsilyl)-, o-methyloxyme, (1Z)- 0.6944 1.3132
Dodecanoic acid, trimethylsilyl ester 1.1087 0.8886
D-Ribofuranose, 1,2,3,5-tetrakis-O-(trimethylsilyl)- 0.8241 1.1803
D-Ribo-Hexitol, 3-deoxy-1,2,4,5,6-pentakis-O-(trimethylsilyl)- 1.2870 0.7058
D-Ribose, 2,3,4,5-tetrakis-O-(trimethylsilyl)- 0.9417 1.0597
D-threitol 0.9577 1.0434
D-Xylopyranose, 1,2,3,4-tetrakis-O-(trimethylsilyl)- 0.7405 1.2660
D-Xylopyranose, 1,2,3,4-tetrakis-O-(trimethylsilyl)-:2 1.0574 0.9412
Fructose-(D)-O-methyloxime-peak1:10 1.0454 0.9534
Fructose-(D)-O-methyloxime-peak1:2 1.0197 0.9798
Fructose-(D)-O-methyloxime-peak1:3 0.9260 1.0759
Fructose-(D)-O-methyloxime-peak1:4 0.8826 1.1203
Fructose-(D)-O-methyloxime-peak1:5 0.9194 1.0827
Fructose-(D)-O-methyloxime-peak1:6 0.7739 1.2317
Fructose-(D)-O-methyloxime-peak1:7 0.8150 1.1897
Fructose-(D)-O-methyloxime-peak1:8 0.7153 1.2918
Fructose-(D)-O-methyloxime-peak1:9 0.9402 1.0613
Galactose, 2-(acetylamino)-2-deoxy-3,4,5,6-tetrakis-O-(trimethylsilyl)- 0.8121 1.1926
Galacturonic acid 1 0.8128 1.1919
Glycine 1.0575 0.9411
Glycine:2 1.0168 0.9828
Glycoside, à-methyl-trtrakis-O-(trimethylsilyl)-:2 1.0635 0.9349
Hexadecanoic acid, 2,3-bis[(trimethylsilyl)oxy]propyl ester 0.7929 1.2123
Hexadecanoic acid, trimethylsilyl ester 0.8966 1.1060
Hexanedioic acid, 2-trimethylsilyloxy-, bis(trimethylsilyl) ester 0.3227 1.6942
Inosose, 2-desoxy-, O-methyloxime, tetrakis-O-(trimethylsilyl)- 1.0530 0.9457
Lactose 2 0.9971 1.0030
Lactose 2:3 1.1673 0.8285
Lactose 2:4 0.6002 1.4098
Lactose 2:5 0.9054 1.0970
l-Alanine, N-(trimethylsilyl)-, trimethylsilyl ester 0.5845 1.4259
L-Asparagine, Nç-[2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-3,4,6-tris-O-(trimethylsilyl)-á-D-glucopyranosyl]-2-deoxy-3,6-bis-O-(trimethylsilyl)-á-D-glucopyranosyl]-:2 1.0821 0.9158
Lauric acid, 2,3-bis(trimethylsiloxy)propyl ester 1.5907 0.3945
L-(-)-fucose 1 0.8427 1.1613
L-homoserine 2 1.1100 0.8873
L-(+) lactic acid 0.9566 1.0445
L-mimosine 1 1.0552 0.9434
L-Proline, 5-oxo-1-(trimethylsilyl)-, trimethylsilyl ester 0.9523 1.0489
L-Threonic acid, tris(trimethylsilyl) ether, trimethylsilyl ester 0.9204 1.0816
L-Threonic acid, tris(trimethylsilyl) ether, trimethylsilyl ester:2 1.0697 0.9286
L-Tyrosine, N,O-bis(trimethylsilyl)-, trimethylsilyl ester 1.9303 0.0465
Melibiose 2 1.4481 0.5406
Melibiose, octakis(trimethylsilyl) 1.0563 0.9423
Melibiose, octakis(trimethylsilyl):10 1.3545 0.6366
Melibiose, octakis(trimethylsilyl):12 0.5413 1.4702
Melibiose, octakis(trimethylsilyl):2 0.4681 1.5452
Melibiose, octakis(trimethylsilyl):3 0.9449 1.0565
Melibiose, octakis(trimethylsilyl):4 1.4358 0.5533
Melibiose, octakis(trimethylsilyl):5 0.9556 1.0455
Melibiose, octakis(trimethylsilyl):6 0.9942 1.0060
Melibiose, octakis(trimethylsilyl):7 0.4943 1.5184
Melibiose, octakis(trimethylsilyl):8 1.0037 0.9962
Melibiose, octakis(trimethylsilyl):9 1.0148 0.9848
meso-Erythritol 0.9651 1.0357
meso-Erythritol:2 1.1732 0.8225
(Methoxymethyl)trimethylsilane 0.9559 1.0452
Myo-Inositol, 1,2,3,4,5,6-hexakis-O-(trimethylsilyl)- 0.2392 1.7798
Myo-Inositol, 1,2,3,4,5,6-hexakis-O-(trimethylsilyl)-:2 0.7260 1.2809
Myo-Inositol, 1,2,3,4,5,6-hexakis-O-(trimethylsilyl)-:3 0.9225 1.0794
Myo-Inositol, 1,2,3,4,5,6-hexakis-O-(trimethylsilyl)-:5 0.8640 1.1394
Myo-Inositol, 1,2,3,4,5,6-hexakis-O-(trimethylsilyl)-:7 1.0079 0.9919
N-acetyl-D-mannosamine 1:2 0.9280 1.0738
N-acetyl-D-mannosamine 1:3 0.9735 1.0271
N-acetyl-D-mannosamine 1:4 1.0501 0.9487
N-acetyl-D-mannosamine 2 0.9219 1.0801
N-acetyl-D-mannosamine 2:2 1.0176 0.9820
N,O,O-Tris(trimethylsilyl)-L-threonine 1.1378 0.8588
n-Pentadecanoic acid, trimethylsilyl ester 1.0190 0.9805
Octadecanoic acid, 9,10-bis[(trimethylsilyl)oxy]-, ethyl ester 0.8386 1.1655
Octadecanoic acid, trimethylsilyl ester 0.8634 1.1400
Octanoic acid, trimethylsilyl ester 1.1099 0.8874
Oleic acid, trimethylsilyl ester:2 0.5216 1.4904
Palmitelaidic acid, trimethylsilyl ester 0.6277 1.3816
Palmitelaidic acid, trimethylsilyl ester:2 0.8047 1.2002
Pentanedioic acid, 2-[(trimethylsilyl)oxy]-, bis(trimethylsilyl) ester 0.8489 1.1549
Pentanedioic acid, bis(trimethylsilyl) ester 1.0747 0.9234
Pentanoic acid, 2-(methoxyimino)-3-methyl-, trimethylsilyl ester 1.0966 0.9010
Pentanoic acid, 3-methyl-2-[(trimethylsilyl)oxy]-, trimethylsilyl ester 1.0520 0.9467
Pentanoic acid, 3-methyl-2-[(trimethylsilyl)oxy]-, trimethylsilyl ester:2 0.9528 1.0484
Pentitol, 1-desoxytetrakis-O-(trimethylsilyl)- 1.0969 0.9007
Propanedioic acid, bis(trimethylsilyl) ester 0.5137 1.4984
Propanetriol, 2-methyl-, tris-O-(trimethylsilyl)- 0.6252 1.3842
Propanetriol, 2-methyl-, tris-O-(trimethylsilyl)-:2 0.4865 1.5264
Propanetriol, 2-methyl-, tris-O-(trimethylsilyl)-:3 0.8930 1.1096
Propanoic acid, 2,3-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester 0.9196 1.0824
Propanoic acid, 2-oxo-3-(trimethylsilyl)-, trimethylsilyl ester 1.0474 0.9514
Propanoic acid, 2-[(trimethylsilyl)oxy]-, trimethylsilyl ester 0.8545 1.1491
Propanoic acid, 3-[(trimethylsilyl)oxy]-, trimethylsilyl ester 0.9392 1.0623
Pyrimidine, 2,4-bis[(trimethylsilyl)oxy]- 1.0454 0.9535
Pyrimidine, 5-methyl-2,4-bis[(trimethylsilyl)oxy]- 0.9534 1.0478
Pyrimidine, 5-methyl-2,4-bis[(trimethylsilyl)oxy]-:2 1.2762 0.7169
Quinic acid 0.9612 1.0397
(R)-3-Hydroxybutyric acid, trimethylsilyl ether, trimethylsilyl ester 1.1872 0.8081
Ribitol, 1,2,3,4,5-pentakis-O-(trimethylsilyl) 0.9499 1.0513
Ribitol, 1,2,3,4,5-pentakis-O-(trimethylsilyl):3 0.7662 1.2396
Ribonic acid, 2,3,4,5-tetrakis-O-(trimethylsilyl)-, trimethylsilyl ester 0.9509 1.0504
Ribonic acid, 2,3,4,5-tetrakis-O-(trimethylsilyl)-, trimethylsilyl ester:2 1.1933 0.8019
Ribonic acid, 2,3,4,5-tetrakis-O-(trimethylsilyl)-, trimethylsilyl ester:3 0.9206 1.0814
Ribonic acid gamma lactone, MOX TMS:2 0.9719 1.0288
Ribose 0.5425 1.4689
Ribose:3 1.2096 0.7852
Ribose:4 1.0562 0.9424
(R*,S*)-3,4-Dihydroxybutanoic acid triTMS 1.1217 0.8752
Sebacic acid, bis(trimethylsilyl) ester:2 1.0317 0.9675
Sedoheptulose, o-methyloxime, hexakis-O-(trimethylsilyl)- 1.0334 0.9658
Silanamine, 1,1,1-trimethyl-N-(trimethylsilyl)-N-[2-[(trimethylsilyl)oxy]ethyl]-:4 0.9753 1.0253
Silanamine, 1,1,1-trimethyl-N-(trimethylsilyl)-N-[2-[(trimethylsilyl)oxy]ethyl]-:5 1.1658 0.8300
Silanamine, 1,1,1-trimethyl-N-(trimethylsilyl)-N-[2-[(trimethylsilyl)oxy]ethyl]-:6 1.1354 0.8612
Silanamine, N-[2-[3,4-bis[(trimethylsilyl)oxy]phenyl]ethyl]-1,1,1-trimethyl-N-(trimethylsilyl)-:2 1.0987 0.8988
Silanamine, N-[2-[3,4-bis[(trimethylsilyl)oxy]phenyl]ethyl]-1,1,1-trimethyl-N-(trimethylsilyl)-:3 0.9877 1.0126
Spiro[5,5]undecane, 3-oxa-4,4-dimethyl-8-aza-8-ethoxycarbonylmethyl- 0.9851 1.0153
Succinic anhydride, O,O^-bis(trimethylsilyl)- 0.8027 1.2022
Tetradecanoic acid, trimethylsilyl ester 0.8726 1.1306
trans-9-Octadecenoic acid, trimethylsilyl ester 0.8934 1.1093
Trimethylsilyl ether of glycerol 0.9984 1.0016
Trimethylsilyl ether of glycerol:2 0.7424 1.2641
Tyramine 1.0604 0.9381
Xylose-MOX-TMS-peak1 0.6738 1.3343
Xylose-MOX-TMS-peak2 1.0676 0.9307
Xylose-MOX-TMS-peak2:2 0.4314 1.5828
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Factors:

F1Treatment:Control
F2Treatment:Eczema
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