Data for Validation of the application of targeted metabolomic appraoch in the diagnosis of CFS (Study ST000617)

(Analysis AN000946)

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

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MetaboliteF1F2
12-HETE 0.9248 1.0836
13S-hydroxyoctadecadienoic acid 1.1004 0.8884
20-Hydroxyeicosatetraenoic acid 1.0067 0.9926
2,3-Diphosphoglyceric acid 1.0065 0.9928
2-Hydroxy-3-methylbutyric acid 0.8428 1.1747
2-Hydroxyglutarate 0.9607 1.0437
2-Isopropylmalic acid 1.2433 0.7296
2-Ketobutyric acid 0.9854 1.0162
2-Ketohexanoic acid 0.9762 1.0264
2-Keto-L-gluconate 1.0209 0.9768
2-Methylcitric acid 0.9211 1.0876
2-Pyrocatechuic acid 0.9172 1.0920
3-methylphenylacetic acid 1.0970 0.8923
3-Phosphoglyceric acid 1.0977 0.8915
4-Hydroxybenzoic acid 1.0048 0.9946
4-Hydroxyphenyllactic acid 0.8665 1.1483
4-Hydroxyphenylpyruvic acid 1.0084 0.9907
4-Pyridoxic acid 1.4503 0.4996
Acetic acid 1.0132 0.9854
Acetoacetic acid 0.9875 1.0139
Adenosine diphosphate 0.9637 1.0403
Adipic acid 0.9790 1.0234
AICAR 1.0476 0.9471
Allantoic acid 1.0011 0.9987
Alpha-ketoisovaleric acid 0.9559 1.0489
Aminoadipic acid 1.0219 0.9756
Androsterone sulfate 0.9785 1.0238
Arachidonic Acid 0.8856 1.1272
Arginine 1.1069 0.8812
Benzoic acid 0.9878 1.0136
Chenodeoxycholic acid 1.2893 0.6786
Chenodeoxyglycocholic acid 1.0318 0.9647
Cholesteryl sulfate 0.9831 1.0187
cis-aconitic acid 1.0407 0.9548
Citramalic acid 0.9692 1.0342
Citric acid 0.9792 1.0232
Citrulline 0.9712 1.0320
CL(18:2/18:1/18:1/20:4) 1.0503 0.9441
CL(18:2/18:2/16:1/16:1) 0.9884 1.0129
CL(18:2/18:2/18:1/18:1) 1.1248 0.8613
CL(18:2/18:2/18:2/16:1) 0.9868 1.0147
CL(18:2/18:2/18:2/18:1) 1.0774 0.9140
CL(18:2/18:2/18:2/18:2) 1.0714 0.9206
CL(18:2/18:2/18:2/20:4) 0.9432 1.0631
CL(18:2/18:2/18:2/22:6) 1.0405 0.9550
Dehydroascorbic acid 0.9484 1.0574
Dehydroepiandrosterone sulfate 0.8844 1.1284
Deoxycholic acid 0.8465 1.1706
Deoxyguanosine 0.9553 1.0497
D-Glyceraldehyde 3-phosphate 0.9952 1.0054
Docosahexaenoic acid 1.0886 0.9016
D-Ribose 5-phosphate 0.9903 1.0107
Eicosapentaenoic acid 1.1749 0.8057
Gamma glutamyl-Alanine 1.0218 0.9758
Gluconic acid 1.0112 0.9876
Gluconolactone 0.9704 1.0329
Glucose 0.9735 1.0295
Glyceric acid 1.0520 0.9423
Glycerol 0.9545 1.0506
Glycerol 3-phosphate 1.0266 0.9704
Glycocholic acid 1.0500 0.9444
Glyoxylic acid 1.0247 0.9725
Guanosine 0.8830 1.1300
Hexacosanoic acid 1.0088 0.9902
Hippuric acid 1.0824 0.9085
Homovanillic acid 0.9914 1.0095
Hydroxyisocaproic acid 0.8969 1.1146
Hypoxanthine 0.9116 1.0982
Indoxyl sulfate 0.9755 1.0272
Inosine 1.0253 0.9719
Isocitric acid 0.9653 1.0385
Isovalerylglycine 1.0189 0.9790
Itaconic acid 0.9567 1.0481
Ketoleucine 0.9780 1.0244
Kynurenic acid 1.0772 0.9142
L-Aspartic acid 1.0349 0.9612
L-Cystine 0.9537 1.0515
Linoleic acid 1.0009 0.9990
Lipoic acid 1.1026 0.8860
L-Lactic acid 0.9058 1.1047
L-Threonine 1.0560 0.9378
Malic acid 0.9668 1.0369
Malonic acid 1.0365 0.9595
Methylmalonic acid 0.9606 1.0438
Methylsuccinic Acid 0.9944 1.0062
Myoinositol 0.9138 1.0958
N-Acetylglutamic acid 1.0497 0.9448
N-Acetyl-L-aspartic acid 0.9751 1.0277
N-acetylserine 0.9721 1.0310
Octulose-monophosphate 0.9811 1.0210
Oleic acid 1.0618 0.9313
Orotic acid 0.9754 1.0273
Oxaloacetic acid 0.9073 1.1030
PA(16:0/16:0) 0.8636 1.1516
PA(16:0/16:1) 0.9884 1.0129
PA(16:1/16:1) 1.0277 0.9693
PA(16:1/18:1) 1.0269 0.9701
PA(18:0/16:1) 1.0279 0.9690
PA(18:0/18:1) 1.0359 0.9601
PA(18:1/18:1) 1.0391 0.9565
p-Aminobenzoic acid 1.0371 0.9588
Pantothenic acid 1.1761 0.8043
PE (18:0/18:0) 1.1099 0.8779
PE(20:4/18:1) 0.9541 1.0510
PE(34:1) 0.9579 1.0468
PE(34:2) 0.9971 1.0033
PE(36:1) 0.9482 1.0575
PE(36:2) 1.0935 0.8961
PE(36:3) 1.0817 0.9092
PE(36:4) 0.9239 1.0846
PG(34:1) 0.9762 1.0265
Phenylacetylglutamine 1.1036 0.8849
Phenyllactic acid 0.9684 1.0351
p-Hydroxyphenylacetic acid 0.9880 1.0133
PI(16:0/16:0) 0.9338 1.0736
PI(32:2) 1.0514 0.9429
PI(34:0) 0.9103 1.0997
PI(34:1) 0.9262 1.0820
PI(34:2) 1.0295 0.9673
PI(36:0) 0.9791 1.0232
PI(36:1) 1.0044 0.9951
PI(36:2) 1.1093 0.8786
PI(36:4) 0.8862 1.1264
PI(38:3) 0.9250 1.0833
PI(38:4) 0.9412 1.0653
PI(38:5) 0.9500 1.0556
PI(40:5) 0.9867 1.0148
Plasmalogen(20:4/p18:0) 0.9837 1.0181
Plasmalogen(22:6/p16:0) 1.0501 0.9444
Plasmalogen(p16:0/20:4) 1.0237 0.9736
Plasmalogen(p18:0/22:6) 1.0921 0.8977
PS(18:0/18:1) 0.8617 1.1537
PS(18:0/20:4) 0.8429 1.1746
PS(36:0) 0.8737 1.1404
PS(36:2) 0.9535 1.0516
Pseudouridine 0.9851 1.0166
Pyroglutamic acid 0.8962 1.1154
Pyruvic acid 1.0026 0.9971
Quinolinic Acid 0.9881 1.0132
S-Adenosylhomocysteine 1.0770 0.9144
Shikimate 3-phosphate 0.9972 1.0031
SM(d18:1/16:0) 0.8492 1.1675
SM(d18:1/16:0 OH) 0.8700 1.1444
SM(d18:1/16:1) 1.0498 0.9447
SM(d18:1/16:1 OH) 0.8696 1.1449
SM(d18:1/16:2) 0.9944 1.0062
SM(d18:1/16:2 OH) 0.9958 1.0047
SM(d18:1/18:0) 0.8757 1.1381
SM(d18:1/18:0 OH) 0.9745 1.0283
SM(d18:1/18:1) 0.8921 1.1199
SM(d18:1/18:1 OH) 0.9538 1.0513
SM(d18:1/18:2) 0.9290 1.0789
SM(d18:1/18:2 OH) 0.9044 1.1063
SM(d18:1/20:0) 0.9576 1.0471
SM(d18:1/20:0 OH) 0.9920 1.0089
SM(d18:1/20:1) 0.8822 1.1309
SM(d18:1/20:1 OH) 0.9690 1.0344
SM(d18:1/20:2) 0.9318 1.0758
SM(d18:1/20:2 OH) 0.9273 1.0808
SM(d18:1/22:0) 0.8831 1.1299
SM(d18:1/22:0 OH) 0.9578 1.0469
SM(d18:1/22:1) 0.9552 1.0498
SM(d18:1/22:2) 0.9447 1.0615
SM(d18:1/22:2 OH) 0.8752 1.1387
SM(d18:1/23:0) or SM(d18:1/22:1 OH) 0.9227 1.0859
SM(d18:1/24:0) 0.9167 1.0926
SM(d18:1/24:0 OH) 0.9953 1.0052
SM(d18:1/24:1) 0.8986 1.1127
SM (d18:1/24:2) 0.9905 1.0106
SM(d18:1/24:2 OH) 0.8882 1.1242
SM(d18:1/25:0) or SM(d18:1/24:1 OH) 0.9189 1.0901
SM(d18:1/26:0) 0.9947 1.0059
SM(d18:1/26:0 OH) 0.8880 1.1245
SM(d18:1/26:1) 0.9371 1.0699
SM(d18:1/26:1 OH) 0.9876 1.0138
SM(d18:1/26:2) 0.9815 1.0205
SM(d18:1/26:2 OH) 1.0175 0.9805
Sphingosine 1-phosphate 1.0020 0.9977
Suberic Acid 0.9618 1.0425
Succinic acid 0.9307 1.0770
Taurine 0.9295 1.0783
Taurocholic acid 1.1073 0.8808
Taurodeoxycholic acid 1.0187 0.9792
Uracil 1.0289 0.9679
Ureidosuccinic acid 0.9801 1.0221
Uric acid 0.9687 1.0348
Uridine 0.9194 1.0896
Xanthine 0.8646 1.1505
Xanthosine 0.8964 1.1151
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Factors:

F1Treatment:CFS
F2Treatment:Control
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