Data for ST003161
| Metabolite structure | All data | F1 | F2 | F3 | F4 |
|---|---|---|---|---|---|
| 10-HAD | 0.02 | 0.04 | 0.02 | 0.03 | |
| 10-Hydroxydecanoic acid | 0.01 | 0.02 | 0.01 | 0.01 | |
| 13Z,16Z-docosadienoic acid | 0.01 | 0.02 | 0.01 | 0.02 | |
| 14-Methylhexadecanoic acid | 0.11 | 0.25 | 0.11 | 0.15 | |
| 1-Aminocyclopropanecarboxylate | 0.01 | 0.01 | 0.01 | 0.01 | |
| 1-Methyladenosine | 0.01 | 0.01 | 0.01 | 0.07 | |
| 2,3-Dihydroxybenzoate | 0.05 | 0.03 | 0.04 | 0.05 | |
| 2,4-Dihydroxypteridine | 0.00 | 0.00 | 0.00 | 0.00 | |
| 2,6-Dihydroxypyridine | 0.04 | 0.20 | 0.06 | 0.12 | |
| 2-Acetamido-2-Deoxy-Beta-D-Glucosylamine | 0.02 | 0.02 | 0.02 | 0.01 | |
| 2-Aminoisobutyrate | 0.11 | 0.12 | 0.35 | 0.21 | |
| 2-Aminophenol | 0.00 | 0.02 | 0.00 | 0.01 | |
| 2^-Deoxy-5^-Adenosine Monophosphate | 0.00 | 0.00 | 0.00 | 0.00 | |
| 2 Deoxy D Glucose | 0.02 | 0.02 | 0.05 | 0.02 | |
| 2-Deoxy-D-Glucose 6-phosphate | 0.00 | 0.00 | 0.00 | 0.00 | |
| 2-Hydroxy-4-(Methylthio)Butyric Acid | 0.03 | 0.01 | 0.02 | 0.02 | |
| 2-hydroxyglutarate | 0.01 | 0.02 | 0.02 | 0.02 | |
| 2-Hydroxyhexadecanoic acid | 0.22 | 0.35 | 0.22 | 0.24 | |
| 2-Hydroxyisocaproic acid | 0.18 | 0.09 | 0.17 | 0.13 | |
| 2-Hydroxypyridine | 0.05 | 0.19 | 0.08 | 0.16 | |
| 2-Hydroxytetradecanoic acid | 0.02 | 0.02 | 0.01 | 0.02 | |
| 2-Methylcitrate | 0.01 | 0.00 | 0.00 | 0.01 | |
| 2-Methylmaleate | 0.04 | 0.08 | 0.05 | 0.06 | |
| 2-Phosphoglycerate | 0.00 | 0.00 | 0.00 | 0.00 | |
| 3-(2-Hydroxyphenyl)Propanoate | 0.12 | 0.09 | 0.11 | 0.08 | |
| 3,4-Dihydroxyphenylglycol | 0.00 | 0.00 | 0.00 | 0.00 | |
| 3-(4-Hydroxyphenyl)Pyruvate | 0.06 | 0.13 | 0.04 | 0.07 | |
| 3-Amino-4-Hydroxybenzoate | 0.00 | 0.00 | 0.00 | 0.00 | |
| 3-Dehydroshikimate | 0.01 | 0.03 | 0.02 | 0.03 | |
| 3-Hydroxyanthranilate | 0.01 | 0.01 | 0.02 | 0.01 | |
| 3-Hydroxybenzaldehyde | 0.82 | 1.53 | 0.59 | 0.91 | |
| 3 Hydroxybenzyl Alcohol | 0.01 | 0.02 | 0.01 | 0.02 | |
| 3-hydroxybutyric acid | 0.01 | 0.02 | 0.02 | 0.02 | |
| 3-Hydroxykynurenine | 0.01 | 0.01 | 0.01 | 0.02 | |
| 3-Hydroxymethylglutarate | 0.02 | 0.01 | 0.04 | 0.01 | |
| 3-Hydroxyoctanoic acid | 0.02 | 0.04 | 0.02 | 0.03 | |
| 3-Methoxy-4-Hydroxymandelate | 0.01 | 0.02 | 0.01 | 0.02 | |
| 3-Methoxytyramine | 0.00 | 0.00 | 0.00 | 0.00 | |
| 3-Methoxytyrosine | 0.01 | 0.01 | 0.01 | 0.01 | |
| 3-Methyl-2-Oxindole | 0.00 | 0.00 | 0.00 | 0.00 | |
| 3-Methyl-2-Oxovalerate | 0.08 | 0.16 | 0.08 | 0.12 | |
| 3-Methyladenine | 0.01 | 0.01 | 0.01 | 0.02 | |
| 3-Methylglutaconate | 0.01 | 0.04 | 0.02 | 0.03 | |
| 3-Methyl-L-Histidine | 0.32 | 0.22 | 0.43 | 0.22 | |
| 4-Acetamidobutanoate | 0.03 | 0.04 | 0.03 | 0.03 | |
| 4-Aminobenzoate | 0.00 | 0.01 | 0.00 | 0.00 | |
| 4-Coumarate | 0.01 | 0.01 | 0.01 | 0.01 | |
| 4-Guanidinobutanoate | 0.11 | 0.04 | 0.14 | 0.11 | |
| 4-Hydroxybenzaldehyde | 0.82 | 1.53 | 0.59 | 0.91 | |
| 4-Hydroxybenzoate | 0.02 | 0.01 | 0.01 | 0.02 | |
| 4-Hydroxy-L-Phenylglycine | 0.03 | 0.00 | 0.00 | 0.00 | |
| 4-Imidazoleacetate | 0.06 | 0.05 | 0.14 | 0.04 | |
| 4-Pyridoxate | 0.02 | 0.04 | 0.02 | 0.04 | |
| 5-Aminolevulinic acid | 0.00 | 0.00 | 0.00 | 0.00 | |
| 5-Aminopentanoate | 3.54 | 1.43 | 5.23 | 4.13 | |
| 5^-Deoxyadenosine | 0.03 | 0.03 | 0.01 | 0.02 | |
| 5-Hydroxyindoleacetate | 0.00 | 0.00 | 0.00 | 0.00 | |
| 5-Hydroxy-L-Tryptophan | 0.00 | 0.00 | 0.00 | 0.00 | |
| 5-Hydroxylysine | 0.00 | 0.00 | 0.00 | 0.01 | |
| 5-Hydroxymethyluracil | 0.00 | 0.00 | 0.00 | 0.00 | |
| 5-Methylcytosine | 0.01 | 0.02 | 0.02 | 0.02 | |
| 5-Valerolactone | 1.61 | 1.91 | 1.38 | 1.51 | |
| 5(Z),8(Z),11(Z)-Eicosatrienoic Acid | 0.19 | 0.06 | 0.26 | 0.10 | |
| 6-Carboxyhexanoate | 0.00 | 0.00 | 0.00 | 0.00 | |
| 6-Hydroxynicotinate | 0.00 | 0.01 | 0.01 | 0.01 | |
| 9-Decenoic acid | 0.02 | 0.04 | 0.02 | 0.03 | |
| Acetaminophen | 0.06 | 0.10 | 0.05 | 0.05 | |
| Acetoacetate | 0.01 | 0.01 | 0.01 | 0.01 | |
| acetyl-carnitine | 0.02 | 0.03 | 0.01 | 0.13 | |
| Acetylcholine | 0.01 | 0.01 | 0.02 | 0.02 | |
| Acetylcysteine | 0.00 | 0.00 | 0.00 | 0.00 | |
| acetyl-lysine | 0.15 | 0.08 | 0.13 | 0.09 | |
| Adenine | 0.35 | 0.56 | 0.19 | 0.29 | |
| Adenosine | 0.04 | 0.16 | 0.07 | 0.31 | |
| Adenosine Diphosphate Ribose | - | 0.00 | 0.01 | 0.00 | |
| Adipate | 0.00 | 0.00 | 0.00 | 0.00 | |
| ADP | 0.00 | 0.00 | 0.00 | 0.01 | |
| Alanine | 0.49 | 0.35 | 0.54 | 0.51 | |
| Aleuritic acid | 0.01 | 0.01 | 0.01 | 0.01 | |
| all-cis-4,7,10,13,16-Docosapentaenoic acid | 0.03 | 0.03 | 0.07 | 0.03 | |
| Allothreonine | 0.02 | 0.02 | 0.01 | 0.02 | |
| aminoadipate | 0.02 | 0.03 | 0.03 | 0.04 | |
| AMP | 0.00 | 0.00 | 0.00 | 0.01 | |
| Aniline-2-Sulfonate | 0.00 | 0.00 | 0.01 | 0.00 | |
| Anserine | 0.00 | 0.00 | 0.01 | 0.01 | |
| Arachidic acid | 0.03 | 0.10 | 0.03 | 0.04 | |
| Arachidonic acid | 0.09 | 0.09 | 0.15 | 0.10 | |
| Arginine | 0.24 | 0.47 | 0.23 | 0.38 | |
| Argininosuccinate | 0.00 | 0.00 | 0.00 | 0.01 | |
| Ascorbic acid | 0.35 | 0.75 | 0.52 | 0.49 | |
| Asparagine | 0.00 | 0.01 | 0.00 | 0.01 | |
| Aspartate | 0.12 | 0.14 | 0.16 | 0.15 | |
| Azelate | 0.05 | 0.11 | 0.09 | 0.10 | |
| Behenic acid | 0.01 | 0.03 | 0.01 | 0.02 | |
| Benzyl Alcohol | 0.04 | 0.03 | 0.04 | 0.02 | |
| Beta-Alanine | 0.52 | 0.41 | 0.70 | 0.57 | |
| Beta-hydroxyvaleric Acid | 0.04 | 0.03 | 0.04 | 0.04 | |
| Betaine | 0.63 | 2.13 | 1.06 | 2.31 | |
| Bilirubin | 0.03 | 0.00 | 0.03 | 0.02 | |
| Biotin | 0.01 | 0.01 | 0.01 | 0.01 | |
| Bis(2-Ethylhexyl)Phthalate | 5.04 | 2.01 | 6.72 | 3.29 | |
| Buthionine-sulfoximine | 0.02 | 0.02 | 0.02 | 0.02 | |
| Butyric acid | 3.75 | 5.03 | 4.80 | 5.46 | |
| Butyryl-carnitine | 0.01 | 0.01 | 0.01 | 0.03 | |
| Caffeate | 0.01 | 0.00 | 0.00 | 0.01 | |
| Caffeine | 0.01 | 0.01 | 0.01 | 0.01 | |
| Carnitine | 0.18 | 0.56 | 0.28 | 0.45 | |
| Carnosine | 0.00 | 0.00 | 0.01 | 0.02 | |
| CDP | 0.00 | 0.00 | 0.00 | 0.00 | |
| Cholate | 1.59 | 0.32 | 3.26 | 1.62 | |
| Choline | 0.95 | 0.47 | 0.84 | 0.75 | |
| Cinnamaldehyde | 0.00 | 0.00 | 0.00 | 0.00 | |
| Cinnamate | 0.00 | 0.00 | 0.00 | 0.00 | |
| cis-10-Nonadecenoic acid | 0.02 | 0.04 | 0.02 | 0.02 | |
| cis-11-Eicosenoic acid | 0.05 | 0.08 | 0.06 | 0.07 | |
| Cis-4-Hydroxy-D-Proline | 0.04 | 0.06 | 0.11 | 0.15 | |
| cis-5-Dodecenoic acid | 0.01 | 0.03 | 0.02 | 0.02 | |
| cis-7,10,13,16-Docosatetraenoic acid | 0.03 | 0.02 | 0.05 | 0.02 | |
| cis-aconitate | 0.00 | 0.00 | 0.00 | 0.00 | |
| Citramalate | 0.16 | 0.18 | 0.15 | 0.15 | |
| Citrate | 0.09 | 0.06 | 0.03 | 0.27 | |
| Citrulline | 1.33 | 1.14 | 0.98 | 1.43 | |
| CMP | 0.00 | 0.00 | 0.00 | 0.01 | |
| Cortexolone | 0.02 | 0.04 | 0.02 | 0.01 | |
| Cortisol 21-Acetate | 0.01 | 0.02 | 0.01 | 0.01 | |
| Cortisone | 0.16 | 0.08 | 0.05 | 0.05 | |
| Creatine | 1.54 | 0.15 | 2.38 | 4.22 | |
| Creatinine | 0.82 | 0.63 | 1.66 | 2.11 | |
| Crotonic acid | 0.02 | 0.04 | 0.01 | 0.03 | |
| Cys-Gly | 0.00 | 0.00 | 0.00 | 0.00 | |
| Cystine | 0.00 | 0.00 | 0.00 | 0.00 | |
| Cytidine | 0.01 | 0.05 | 0.03 | 0.11 | |
| Cytidine 2^,3^-Cyclic Phosphate | - | 0.00 | 0.00 | 0.00 | |
| Cytosine | 0.04 | 0.04 | 0.02 | 0.06 | |
| Decanoic acid | 0.33 | 0.48 | 0.15 | 0.21 | |
| Deoxycarnitine | 4.82 | 4.54 | 6.30 | 4.03 | |
| Deoxycholate | 5.03 | 2.01 | 6.72 | 3.29 | |
| Deoxycytidine | 0.02 | 0.02 | 0.03 | 0.02 | |
| Deoxycytidine Monophosphate | 0.00 | 0.00 | 0.00 | 0.00 | |
| Deoxyguanosine | 0.03 | 0.07 | 0.04 | 0.05 | |
| Deoxyguanosine monophosphate | 0.00 | 0.01 | 0.01 | 0.03 | |
| Deoxyribose | 0.01 | 0.01 | 0.01 | 0.02 | |
| Deoxyuridine | 0.02 | 0.02 | 0.02 | 0.02 | |
| Dethiobiotin | 0.05 | 0.02 | 0.07 | 0.07 | |
| Diaminopimelate | 0.00 | 0.00 | 0.00 | 0.00 | |
| Didecanoyl-Glycerophosphocholine | 0.01 | 0.03 | 0.01 | 0.01 | |
| Diethanolamine | 0.00 | 0.01 | 0.00 | 0.01 | |
| Diethyl 2-Methyl-3-Oxosuccinate | 0.02 | 0.04 | 0.02 | 0.03 | |
| Dihydrobiopterin | 0.00 | 0.01 | 0.00 | 0.01 | |
| Dihydroorotate | 0.00 | 0.00 | 0.00 | 0.00 | |
| Dihydrouracil | 0.00 | 0.01 | 0.01 | 0.01 | |
| Dimethylarginine | 0.23 | 0.07 | 0.25 | 0.21 | |
| Dimethylglycine | 0.04 | 0.09 | 0.06 | 0.07 | |
| D-Mannosamine | 0.00 | 0.01 | 0.00 | 0.00 | |
| Docosahexaenoic acid | 0.04 | 0.03 | 0.04 | 0.02 | |
| Docosatrienoic Acid | 0.01 | 0.02 | 0.01 | 0.01 | |
| Dodecanoic acid | 1.41 | 1.64 | 0.27 | 0.29 | |
| Dopamine | 0.00 | 0.01 | 0.00 | 0.01 | |
| D-Pinitol | 0.00 | 0.00 | 0.00 | 0.01 | |
| D-Sedoheptulose | 0.00 | 0.00 | 0.00 | 0.00 | |
| Eicosapentaenoic acid | 0.01 | 0.02 | 0.01 | 0.02 | |
| Epinephrine | 0.00 | 0.00 | 0.00 | 0.00 | |
| Erucic acid | 0.00 | 0.01 | 0.02 | 0.02 | |
| Ethyl 3-Indoleacetate | 0.01 | 0.01 | 0.00 | 0.01 | |
| Farnesyl pyrophosphate | 0.02 | 0.06 | 0.02 | 0.04 | |
| Ferulate | 0.02 | 0.01 | 0.02 | 0.03 | |
| Fructose | 0.02 | 0.01 | 0.03 | 0.05 | |
| Fructose-6-phosphate | 0.02 | 0.04 | 0.02 | 0.06 | |
| Fumarate | 0.01 | 0.01 | 0.01 | 0.02 | |
| GABA | 0.48 | 0.22 | 0.95 | 0.48 | |
| Galactarate | 0.00 | 0.00 | 0.00 | 0.00 | |
| Galactosamine | 0.02 | 0.02 | 0.02 | 0.03 | |
| Galactose 1-Phosphate | 0.01 | 0.01 | 0.01 | 0.02 | |
| Galacturonate | 0.03 | 0.03 | 0.02 | 0.07 | |
| gamma-Glutamylcysteine | 0.00 | 0.00 | 0.00 | 0.00 | |
| Gemcitabine | 0.00 | 0.00 | 0.00 | 0.00 | |
| Glucosaminate | 0.00 | 0.01 | 0.00 | 0.01 | |
| Glucosamine | 0.01 | 0.01 | 0.01 | 0.01 | |
| Glucosamine-6-Phosphate | 0.00 | 0.00 | 0.00 | 0.00 | |
| Glucose | 0.03 | 0.01 | 0.03 | 0.03 | |
| Glucose 6-Phosphate | 0.02 | 0.04 | 0.02 | 0.06 | |
| Glucuronolactone | 0.02 | 0.03 | 0.02 | 0.03 | |
| Glutamate | 1.19 | 1.70 | 0.81 | 1.22 | |
| Glutamine | 0.36 | 0.33 | 0.26 | 0.46 | |
| Glutarate | 0.05 | 0.06 | 0.04 | 0.06 | |
| Glutarylcarnitine | 0.00 | 0.00 | 0.01 | 0.00 | |
| Glycerate | 0.12 | 0.22 | 0.07 | 0.16 | |
| Glycerol | 0.12 | 0.29 | 0.15 | 0.21 | |
| Glycerol 3-phosphate | 0.00 | 0.00 | 0.00 | 0.01 | |
| Glycine | 0.03 | 0.02 | 0.02 | 0.03 | |
| Glycochenodeoxycholate | 0.02 | 0.13 | 0.03 | 0.05 | |
| Glycocholate | 0.01 | 0.08 | 0.02 | 0.05 | |
| Glycolate | 0.49 | 1.10 | 0.47 | 0.87 | |
| GMP | 0.00 | 0.00 | 0.00 | 0.00 | |
| GPP | 0.00 | 0.00 | 0.00 | 0.00 | |
| Guaiacol | 0.02 | 0.00 | 0.01 | 0.01 | |
| Guanidinoacetate | 0.03 | 0.01 | 0.02 | 0.08 | |
| Guanidinosuccinic Acid | 0.00 | 0.00 | 0.00 | 0.01 | |
| Guanine | 0.08 | 0.08 | 0.05 | 0.21 | |
| Guanosine | 0.03 | 0.05 | 0.05 | 0.10 | |
| Gulonolactone | 0.02 | 0.02 | 0.01 | 0.02 | |
| Heptanoic acid | 0.20 | 0.81 | 0.12 | 0.77 | |
| Hexanoic acid | 0.30 | 0.88 | 0.12 | 1.01 | |
| Hexanoyl carnitine | 0.00 | 0.00 | 0.00 | 0.00 | |
| Hippurate | 0.02 | 0.01 | 0.01 | 0.04 | |
| Histamine | 0.12 | 0.05 | 0.26 | 0.10 | |
| Histidine | 0.11 | 0.04 | 0.03 | 0.05 | |
| Homocysteine | 0.00 | 0.00 | 0.00 | 0.00 | |
| Homocysteine Thiolactone | 0.00 | 0.00 | 0.00 | 0.00 | |
| Homoserine | 0.05 | 0.03 | 0.04 | 0.04 | |
| Hydroquinone | 0.01 | 0.01 | 0.02 | 0.02 | |
| Hypotaurine | 0.00 | 0.00 | 0.00 | 0.00 | |
| Hypoxanthine | 1.53 | 1.59 | 1.11 | 2.17 | |
| Indole-3-Acetamide | 0.00 | 0.00 | 0.00 | 0.00 | |
| Indole-3-Acetate | 0.09 | 0.01 | 0.02 | 0.01 | |
| Indole-3-Ethanol | 0.00 | 0.00 | 0.00 | 0.00 | |
| Indole-3-Methyl Acetate | 0.01 | 0.01 | 0.01 | 0.01 | |
| Indole-3-Pyruvate | 0.02 | 0.01 | 0.02 | 0.04 | |
| Indoxyl-Glucoside | 0.00 | 0.01 | 0.00 | 0.01 | |
| Indoxyl Sulfate | 0.00 | 0.00 | 0.00 | 0.00 | |
| Inosine | 0.08 | 0.14 | 0.11 | 0.17 | |
| Isoleucine | 3.80 | 1.08 | 1.76 | 1.01 | |
| Itaconate | 0.02 | 0.02 | 0.02 | 0.02 | |
| Kynurenate | 0.01 | 0.02 | 0.01 | 0.01 | |
| Kynurenine | 0.01 | 0.01 | 0.01 | 0.01 | |
| Lactose | 0.00 | 0.00 | 0.01 | 0.00 | |
| Lauroylcarnitine | 0.04 | 0.02 | 0.01 | 0.01 | |
| L-Dopa | 0.00 | 0.00 | 0.00 | 0.00 | |
| Leucine | 4.44 | 2.98 | 2.30 | 2.80 | |
| Lignoceric acid | 0.01 | 0.01 | 0.00 | 0.01 | |
| Linoleic acid | 2.32 | 5.23 | 2.14 | 2.70 | |
| Linolenic acid | 0.09 | 0.52 | 0.10 | 0.31 | |
| Lipoic acid | 0.00 | 0.00 | 0.00 | 0.00 | |
| Lithocholate | 2.22 | 1.28 | 1.47 | 1.59 | |
| Lithocholyltaurine | 0.02 | 0.02 | 0.02 | 0.01 | |
| Lumichrome | 0.02 | 0.05 | 0.02 | 0.03 | |
| Lysine | 0.86 | 0.58 | 0.51 | 0.87 | |
| Malate | 0.54 | 0.57 | 0.50 | 0.70 | |
| Maleamate | 0.00 | 0.00 | 0.00 | 0.00 | |
| Maleate | 0.04 | 0.06 | 0.07 | 0.08 | |
| Maleimide | 0.00 | 0.00 | 0.00 | 0.00 | |
| Malonate | 0.00 | 0.00 | 0.00 | 0.00 | |
| Mandelate | 0.11 | 0.01 | 0.05 | 0.03 | |
| Mannitol | 0.02 | 0.01 | 0.01 | 0.02 | |
| Melatonin | 0.03 | 0.12 | 0.00 | 0.02 | |
| Mesaconic acid | 0.00 | 0.01 | 0.01 | 0.01 | |
| Methionine | 1.36 | 0.80 | 0.96 | 0.90 | |
| Methionine Sulfoximine | 0.00 | 0.00 | 0.00 | 0.00 | |
| Methyglutarate | 0.00 | 0.00 | 0.00 | 0.00 | |
| Methyl 4-Aminobutyrate | 0.20 | 0.12 | 0.09 | 0.11 | |
| Methylarginine | 0.02 | 0.01 | 0.01 | 0.02 | |
| Methyl Galactoside | 0.01 | 0.01 | 0.01 | 0.02 | |
| Methylguanidine | 0.00 | 0.00 | 0.00 | 0.00 | |
| Methyl Jasmonate | 0.02 | 0.03 | 0.02 | 0.02 | |
| methyl-lysine | 0.04 | 0.03 | 0.09 | 0.03 | |
| Methylmalonate | 0.00 | 0.00 | 0.00 | 0.00 | |
| Methylthioadenosine | 0.00 | 0.01 | 0.00 | 0.01 | |
| Methyl Vanillate | 0.02 | 0.05 | 0.02 | 0.03 | |
| Mevalolactone | 0.05 | 0.07 | 0.04 | 0.07 | |
| Mevalonate | 0.05 | 0.02 | 0.07 | 0.06 | |
| Monoethylmalonate | 0.01 | 0.02 | 0.01 | 0.02 | |
| Myo-Inositol | 0.00 | 0.00 | 0.00 | 0.02 | |
| Myristic acid | 0.86 | 1.17 | 0.72 | 0.62 | |
| Myristoleic acid | 0.02 | 0.01 | 0.02 | 0.01 | |
| N6-(Delta2-Isopentenyl)-Adenine | 0.01 | 0.01 | 0.01 | 0.01 | |
| N-Acetylalanine | 0.01 | 0.01 | 0.01 | 0.01 | |
| N-Acetylasparagine | 0.03 | 0.02 | 0.04 | 0.06 | |
| N-Acetylglucosamine | 0.11 | 0.08 | 0.16 | 0.18 | |
| N-Acetylglutamate | 0.00 | 0.01 | 0.00 | 0.00 | |
| N-Acetylglycine | 0.00 | 0.00 | 0.00 | 0.00 | |
| N-Acetyl-L-Aspartic Acid | 0.14 | 0.20 | 0.10 | 0.12 | |
| N-Acetylleucine | 0.03 | 0.02 | 0.03 | 0.02 | |
| N-Acetyl-L-glutamine | 0.04 | 0.03 | 0.03 | 0.01 | |
| N-Acetylmethionine | 0.02 | 0.04 | 0.02 | 0.03 | |
| N-Acetylneuraminate | 0.01 | 0.01 | 0.03 | 0.01 | |
| N-Acetylphenylalanine | 0.03 | 0.01 | 0.02 | 0.02 | |
| N-Acetylputrescine | 5.38 | 0.16 | 5.06 | 1.84 | |
| N-Acetylserine | 0.01 | 0.01 | 0.02 | 0.01 | |
| N-Acetylserotonin | 0.00 | 0.01 | 0.00 | 0.01 | |
| N-Acetyltryptophan | 0.02 | 0.01 | 0.01 | 0.01 | |
| NAD+ | 0.00 | 0.02 | 0.00 | 0.01 | |
| N-Alpha-Acetyllysine | 0.34 | 0.34 | 0.34 | 0.39 | |
| NAPQI | 0.02 | 0.03 | 0.01 | 0.02 | |
| N-Butylbenzenesulfonamide | 0.22 | 0.42 | 0.24 | 0.38 | |
| Nervonic acid | 0.01 | 0.01 | 0.02 | 0.01 | |
| N-Formylglycine | 0.00 | 0.01 | 0.00 | 0.00 | |
| N-Formyl-L-Methionine | 0.04 | 0.04 | 0.01 | 0.02 | |
| Nicotinamide | 0.28 | 0.15 | 0.41 | 0.26 | |
| Nicotinamide Mononucleotide | 0.00 | 0.00 | 0.00 | 0.01 | |
| nicotinamide N-oxide | 0.69 | 0.64 | 0.42 | 0.69 | |
| Nicotinate | 0.10 | 0.09 | 0.07 | 0.16 | |
| Nicotine | - | 0.00 | 0.00 | 0.01 | |
| N-Methylaspartate | 0.00 | 0.01 | 0.00 | 0.01 | |
| N-Methylglutamate | 0.04 | 0.08 | 0.04 | 0.06 | |
| N-Methyltryptamine | 0.00 | 0.00 | 0.00 | 0.00 | |
| Nonadecanoic acid | 0.01 | 0.02 | 0.01 | 0.02 | |
| Nonanoic acid | 0.50 | 1.12 | 0.46 | 0.94 | |
| Normetanephrine | 0.00 | 0.00 | 0.00 | 0.00 | |
| Norvaline | 1.20 | 0.68 | 1.37 | 0.99 | |
| O-Acetylserine | 0.01 | 0.01 | 0.01 | 0.01 | |
| Octanoic acid | 0.66 | 1.21 | 0.31 | 0.90 | |
| Oleic acid | 5.24 | 7.01 | 2.89 | 3.79 | |
| Oleoyl-Glycerol | 0.01 | 0.01 | 0.01 | 0.01 | |
| Omega-Hydroxydodecanoate | 0.02 | 0.02 | 0.01 | 0.01 | |
| Ophthalmate | 0.01 | 0.01 | 0.01 | 0.02 | |
| Ornithine | 0.14 | 0.05 | 0.06 | 0.11 | |
| Orotate | 0.04 | 0.03 | 0.02 | 0.03 | |
| O-Succinyl-Homoserine | 0.01 | 0.01 | 0.01 | 0.01 | |
| Oxalate | 0.03 | 0.05 | 0.02 | 0.04 | |
| Oxoadipate | 0.00 | 0.00 | 0.00 | 0.00 | |
| Oxoglutarate | 0.00 | 0.00 | 0.00 | 0.00 | |
| Oxoproline | 0.02 | 0.03 | 0.03 | 0.03 | |
| Palmitic acid | 4.73 | 10.58 | 5.35 | 7.93 | |
| Palmitoleic acid | 0.27 | 0.24 | 0.28 | 0.18 | |
| Palmitoyl-carnitine | 0.01 | 0.01 | 0.02 | 0.01 | |
| Paraxanthine | 0.00 | 0.01 | 0.01 | 0.01 | |
| Pentadecanoic acid | 0.62 | 0.94 | 0.60 | 0.77 | |
| Pentanoate | 1.41 | 1.28 | 1.24 | 1.16 | |
| Phenylacetaldehyde | 0.04 | 0.02 | 0.05 | 0.02 | |
| Phenylalanine | 2.24 | 0.55 | 1.60 | 0.90 | |
| Phenylethanolamine | 0.00 | 0.00 | 0.00 | 0.00 | |
| Phenylpyruvate | 0.03 | 0.06 | 0.03 | 0.04 | |
| Phylloquinone | 0.00 | 0.01 | 0.01 | 0.00 | |
| Picolinate | 0.00 | 0.00 | 0.00 | 0.00 | |
| Pipecolate | 0.99 | 1.82 | 0.96 | 0.91 | |
| P-Octopamine | 0.00 | 0.00 | 0.00 | 0.00 | |
| Pregnenolone Sulfate | 0.02 | 0.02 | 0.03 | 0.02 | |
| Proline | 2.42 | 1.96 | 1.90 | 2.15 | |
| Propionyl-carnitine | 0.01 | 0.01 | 0.00 | 0.02 | |
| Protoporphyrin | 0.03 | 0.06 | 0.05 | 0.05 | |
| Pterin | 0.00 | 0.01 | 0.00 | 0.01 | |
| Purine | 0.00 | 0.00 | 0.00 | 0.00 | |
| Pyridoxal | 0.06 | 0.15 | 0.08 | 0.12 | |
| Pyridoxine | 0.04 | 0.20 | 0.04 | 0.08 | |
| Pyruvate | 0.02 | 0.02 | 0.02 | 0.02 | |
| Quinate | 0.04 | 0.22 | 0.17 | 0.08 | |
| Quinolinate | 0.00 | 0.00 | 0.00 | 0.00 | |
| Quinoline | 0.00 | 0.00 | 0.00 | 0.02 | |
| Raffinose | 0.00 | 0.00 | 0.01 | 0.01 | |
| Rhamnose | 0.03 | 0.03 | 0.05 | 0.02 | |
| Riboflavin | 0.02 | 0.12 | 0.02 | 0.02 | |
| Ribose | 0.01 | 0.01 | 0.01 | 0.01 | |
| Ribose phosphate | 0.00 | 0.00 | 0.00 | 0.00 | |
| Ricinoleic acid | 0.82 | 0.71 | 0.93 | 0.62 | |
| Saccharate | 0.00 | 0.00 | 0.00 | 0.00 | |
| S-Adenosyl-L-Homocysteine | 0.00 | 0.00 | 0.00 | 0.00 | |
| S-Adenosyl-L-methionine | 0.01 | 0.01 | 0.02 | 0.02 | |
| Salicylamide | 0.00 | 0.01 | 0.01 | 0.01 | |
| Salicylate | 0.01 | 0.02 | 0.01 | 0.03 | |
| Salsolinol | 0.01 | 0.03 | 0.02 | 0.02 | |
| Sarcosine | 0.01 | 0.02 | 0.03 | 0.03 | |
| S-Carboxymethylcysteine | 0.00 | 0.00 | 0.00 | 0.00 | |
| Sedoheptulose-7-phosphate | 0.01 | 0.01 | 0.00 | 0.01 | |
| Serine | 0.06 | 0.07 | 0.04 | 0.07 | |
| Serotonin | 0.00 | 0.01 | 0.00 | 0.00 | |
| S-Hexyl-Glutathione | 0.01 | 0.00 | 0.00 | 0.01 | |
| Shikimate | 0.00 | 0.01 | 0.01 | 0.01 | |
| Sn-Glycero-3-Phosphocholine | 0.07 | 0.05 | 0.06 | 0.14 | |
| Sorbate | 0.01 | 0.01 | 0.01 | 0.01 | |
| Sphinganine | 0.17 | 0.19 | 0.11 | 0.13 | |
| Stachydrine | 0.38 | 1.42 | 0.59 | 0.72 | |
| Stachyose | 0.00 | 0.00 | 0.00 | 0.00 | |
| Stearic acid | 0.96 | 3.88 | 0.94 | 1.84 | |
| Suberate | 0.00 | 0.01 | 0.01 | 0.01 | |
| Succinic Acid | 0.02 | 0.01 | 0.04 | 0.05 | |
| Succinyladenosine | 0.00 | 0.00 | 0.00 | 0.00 | |
| Succinyl-Cysteine | 0.01 | 0.00 | 0.00 | 0.01 | |
| Sucrose | 0.00 | 0.01 | 0.01 | 0.01 | |
| Tartrate | 0.23 | 0.35 | 0.04 | 0.13 | |
| Taurine | 0.25 | 0.10 | 0.33 | 0.28 | |
| Tetradecanoylcarnitine | 0.01 | - | 0.00 | 0.01 | |
| Tetrahydrofolate | 0.00 | 0.00 | 0.00 | 0.00 | |
| Theophylline | 0.00 | 0.01 | 0.01 | 0.01 | |
| Thiamine | 0.01 | 0.05 | 0.01 | 0.06 | |
| Thiamine Monophosphate | 0.00 | 0.00 | 0.00 | 0.02 | |
| Thiopurine S-Methylether | 0.02 | 0.01 | 0.01 | 0.01 | |
| Threonine | 0.26 | 0.26 | 0.27 | 0.29 | |
| Thymidine | 0.03 | 0.05 | 0.02 | 0.04 | |
| Thymine | 0.11 | 0.15 | 0.08 | 0.08 | |
| TMP | 0.00 | 0.00 | 0.00 | 0.00 | |
| trans-3-Hexenoic acid | 0.01 | 0.01 | 0.01 | 0.01 | |
| Trans-4-Hydroxy-L-Proline | 0.04 | 0.06 | 0.11 | 0.15 | |
| trans,trans-Muconic acid | 0.00 | 0.00 | 0.00 | 0.00 | |
| Trehalose | 0.01 | 0.01 | 0.02 | 0.02 | |
| Tricosanoic acid | 0.00 | 0.01 | 0.00 | 0.01 | |
| Tridecanoic acid | 0.06 | 0.09 | 0.05 | 0.07 | |
| Trigonelline | 0.16 | 0.55 | 0.18 | 0.18 | |
| Trimethyllysine | 0.62 | 0.14 | 0.35 | 0.31 | |
| Tryptophan | 0.37 | 0.18 | 0.37 | 0.32 | |
| Tryptophanamide | 0.00 | 0.00 | 0.00 | 0.00 | |
| Tyramine | 0.53 | 0.03 | 0.77 | 0.28 | |
| Tyrosine | 1.09 | 0.39 | 0.59 | 0.51 | |
| UMP | 0.00 | 0.00 | 0.00 | 0.01 | |
| Undecanoic acid | 0.03 | 0.07 | 0.03 | 0.05 | |
| Uracil | 0.13 | 0.08 | 0.08 | 0.10 | |
| Urate | 0.00 | 0.00 | 0.00 | 0.00 | |
| Ureidopropionate | 0.00 | 0.00 | 0.01 | 0.00 | |
| Uridine | 0.06 | 0.04 | 0.06 | 0.06 | |
| Urocanate | 0.25 | 0.08 | 0.19 | 0.19 | |
| Valine | 1.20 | 0.61 | 1.28 | 0.91 | |
| Xanthine | 0.01 | 0.00 | 0.01 | 0.01 | |
| Xanthurenate | 0.24 | 0.29 | 0.64 | 0.25 | |
| Ximeninic Acid | 0.09 | 0.52 | 0.10 | 0.31 | |
| Xylitol | 0.00 | 0.00 | 0.00 | 0.00 | |
| Xylose | 0.09 | 0.09 | 0.12 | 0.12 |
Factors:
| F1 | Gender:Female | Diagnosis:CD |
| F2 | Gender:Female | Diagnosis:Control |
| F3 | Gender:Male | Diagnosis:CD |
| F4 | Gender:Male | Diagnosis:Control |