Data for ST003313
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 10-HAD | 0.04 | 0.04 | 0.04 | 0.04 | 0.01 | 0.04 | 0.03 | 0.04 | 0.04 | 0.02 | |
| 10-Hydroxydecanoic acid | 0.02 | 0.03 | 0.02 | 0.02 | 0.01 | 0.02 | 0.01 | 0.02 | 0.02 | 0.02 | |
| 13Z,16Z-docosadienoic acid | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | |
| 14-Methylhexadecanoic acid | 0.27 | 0.31 | 0.45 | 0.25 | 0.14 | 0.29 | 0.35 | 0.30 | 0.45 | 0.19 | |
| 1-Aminocyclopropanecarboxylate | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| 1-Methyladenosine | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| 2,3-Dihydroxybenzoate | 0.03 | 0.02 | 0.01 | 0.06 | 0.01 | 0.03 | 0.01 | 0.03 | 0.03 | 0.02 | |
| 2,4-Dihydroxypteridine | 0.00 | 0.00 | 0.00 | 0.00 | - | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| 2,6-Dihydroxypyridine | 0.21 | 0.21 | 0.11 | 0.21 | 0.01 | 0.20 | 0.18 | 0.18 | 0.18 | 0.12 | |
| 2-Acetamido-2-Deoxy-Beta-D-Glucosylamine | 0.08 | 0.06 | 0.03 | 0.11 | 0.00 | 0.08 | 0.01 | 0.13 | 0.06 | 0.08 | |
| 2-Aminoisobutyrate | 0.12 | 0.12 | 0.08 | 0.11 | 0.06 | 0.16 | 0.08 | 0.12 | 0.11 | 0.18 | |
| 2-Aminophenol | 0.00 | 0.00 | 0.00 | 0.00 | - | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| 2 Deoxy D Glucose | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | 0.00 | 0.02 | 0.01 | 0.02 | |
| 2-Deoxy-D-Glucose 6-phosphate | 0.00 | 0.00 | 0.00 | 0.00 | - | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| 2-Hydroxy-4-(Methylthio)Butyric Acid | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.03 | 0.00 | 0.01 | 0.01 | 0.03 | |
| 2-hydroxyglutarate | 0.13 | 0.13 | 0.08 | 0.15 | 0.17 | 0.16 | 0.06 | 0.15 | 0.14 | 0.22 | |
| 2-Hydroxyhexadecanoic acid | 0.37 | 0.31 | 0.37 | 0.32 | 0.42 | 0.24 | 0.31 | 0.39 | 0.36 | 0.19 | |
| 2-Hydroxyisocaproic acid | 0.39 | 0.23 | 0.17 | 0.47 | 0.05 | 0.39 | 0.22 | 0.34 | 0.25 | 0.45 | |
| 2-Hydroxypyridine | 0.24 | 0.26 | 0.16 | 0.21 | 0.04 | 0.22 | 0.14 | 0.21 | 0.24 | 0.12 | |
| 2-Hydroxytetradecanoic acid | 0.01 | 0.02 | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | |
| 2-Methylcitrate | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| 2-Methylmaleate | 0.18 | 0.19 | 0.09 | 0.18 | 0.01 | 0.16 | 0.11 | 0.15 | 0.13 | 0.16 | |
| 2-Phosphoglycerate | 0.00 | 0.00 | 0.00 | 0.00 | - | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | |
| 3-(2-Hydroxyphenyl)Propanoate | 0.07 | 0.06 | 0.04 | 0.10 | 0.02 | 0.08 | 0.03 | 0.07 | 0.06 | 0.08 | |
| 3,4-Dihydroxybenzoate | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| 3,4 Dihydroxymandelate | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| 3,4-Dihydroxyphenylglycol | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| 3-(4-Hydroxyphenyl)Pyruvate | 0.54 | 0.56 | 0.26 | 0.54 | 0.08 | 0.49 | 0.30 | 0.48 | 0.43 | 0.37 | |
| 3-Amino-4-Hydroxybenzoate | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| 3-Amino-5-Hydroxybenzoate | 0.00 | 0.00 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| 3-Dehydroshikimate | 0.07 | 0.08 | 0.04 | 0.05 | 0.01 | 0.08 | 0.07 | 0.07 | 0.06 | 0.04 | |
| 3-Hydroxyanthranilate | 0.01 | 0.11 | 0.01 | 0.72 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.12 | |
| 3-Hydroxybenzaldehyde | 6.67 | 7.03 | 6.00 | 5.44 | 0.98 | 6.09 | 5.66 | 5.62 | 9.09 | 3.80 | |
| 3 Hydroxybenzyl Alcohol | 0.05 | 0.04 | 0.03 | 0.05 | 0.01 | 0.04 | 0.03 | 0.04 | 0.04 | 0.03 | |
| 3-hydroxybutyric acid | 0.03 | 0.04 | 0.01 | 0.03 | 0.01 | 0.05 | 0.01 | 0.03 | 0.02 | 0.02 | |
| 3-Hydroxykynurenine | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| 3-Hydroxymethylglutarate | 0.01 | 0.01 | 0.01 | 0.01 | 0.04 | 0.01 | 0.00 | 0.01 | 0.01 | 0.02 | |
| 3-Hydroxyoctanoic acid | 0.05 | 0.06 | 0.05 | 0.05 | 0.01 | 0.05 | 0.05 | 0.05 | 0.06 | 0.04 | |
| 3-Methoxy-4-Hydroxymandelate | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 0.02 | 0.02 | 0.02 | 0.02 | 0.01 | |
| 3-Methoxytyramine | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| 3-Methoxytyrosine | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | |
| 3-Methyl-2-Oxovalerate | 0.28 | 0.27 | 0.20 | 0.30 | 0.04 | 0.28 | 0.15 | 0.26 | 0.21 | 0.20 | |
| 3-Methyladenine | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | |
| 3-Methylglutaconate | 0.04 | 0.05 | 0.04 | 0.03 | 0.01 | 0.04 | 0.04 | 0.04 | 0.05 | 0.02 | |
| 3-Methyl-L-Histidine | 0.04 | 0.05 | 0.03 | 0.38 | 0.12 | 0.11 | 0.02 | 0.09 | 0.09 | 0.04 | |
| 3-Sulfinoalanine | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| 4-Acetamidobutanoate | 0.05 | 0.05 | 0.04 | 0.05 | 0.03 | 0.04 | 0.03 | 0.06 | 0.05 | 0.03 | |
| 4-Aminobenzoate | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| 4-Coumarate | 0.02 | 0.02 | 0.02 | 0.03 | 0.01 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | |
| 4-Guanidinobutanoate | 0.04 | 0.04 | 0.05 | 0.22 | 0.06 | 0.11 | 0.03 | 0.08 | 0.05 | 0.06 | |
| 4-Hydroxybenzaldehyde | 0.48 | 0.48 | 0.43 | 0.44 | 0.15 | 0.41 | 0.33 | 0.41 | 0.51 | 0.38 | |
| 4-Hydroxybenzoate | 0.05 | 0.02 | 0.02 | 0.04 | 0.02 | 0.03 | 0.01 | 0.03 | 0.03 | 0.02 | |
| 4-Hydroxy-L-Phenylglycine | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| 4-Imidazoleacetate | 0.04 | 0.04 | 0.05 | 0.07 | 0.01 | 0.06 | 0.01 | 0.08 | 0.07 | 0.02 | |
| 4-Pyridoxate | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.01 | 0.02 | 0.02 | 0.01 | |
| 5-Aminolevulinic acid | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| 5-Aminopentanoate | 1.86 | 1.56 | 0.68 | 3.27 | 1.21 | 3.01 | 1.16 | 2.18 | 1.58 | 3.31 | |
| 5-Deoxyadenosine | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | |
| 5-Hydroxylysine | 0.00 | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.01 | 0.02 | |
| 5-Hydroxymethyluracil | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| 5-Methylcytosine | 0.00 | 0.00 | 0.00 | 0.01 | - | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | |
| 5-Valerolactone | 1.69 | 1.62 | 1.23 | 1.38 | 3.03 | 1.48 | 0.95 | 1.74 | 1.40 | 0.73 | |
| 5(Z),8(Z),11(Z)-Eicosatrienoic Acid | 0.04 | 0.08 | 0.05 | 0.07 | 0.08 | 0.13 | 0.04 | 0.13 | 0.05 | 0.05 | |
| 6-Carboxyhexanoate | 0.02 | 0.04 | 0.01 | 0.02 | 0.01 | 0.02 | 0.01 | 0.02 | 0.02 | 0.02 | |
| 6-Hydroxynicotinate | 0.01 | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | |
| 9-Decenoic acid | 0.07 | 0.07 | 0.04 | 0.07 | 0.02 | 0.06 | 0.04 | 0.06 | 0.05 | 0.05 | |
| Acetaminophen | 0.01 | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | |
| Acetoacetate | 0.03 | 0.03 | 0.02 | 0.02 | 0.01 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | |
| acetyl-carnitine | 0.02 | 0.06 | 0.03 | 0.01 | 0.01 | 0.01 | 0.01 | 0.06 | 0.03 | 0.05 | |
| Acetylcholine | 0.02 | 0.01 | 0.01 | 0.02 | 0.04 | 0.01 | 0.00 | 0.01 | 0.02 | 0.05 | |
| Acetylcysteine | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Adenine | 0.15 | 0.17 | 0.20 | 0.12 | 0.07 | 0.16 | 0.21 | 0.18 | 0.25 | 0.21 | |
| Adenosine | 0.06 | 0.07 | 0.10 | 0.06 | 0.02 | 0.06 | 0.08 | 0.08 | 0.12 | 0.07 | |
| Adenosine Diphosphate Ribose | 0.01 | 0.00 | 0.00 | 0.00 | - | 0.01 | 0.02 | 0.01 | 0.01 | 0.00 | |
| Adipate | 0.01 | 0.02 | 0.03 | 0.01 | 0.06 | 0.02 | 0.01 | 0.04 | 0.02 | 0.01 | |
| ADP | 0.00 | 0.00 | 0.00 | 0.00 | - | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Alanine | 0.01 | 0.04 | 0.02 | 0.03 | 0.02 | 0.01 | 0.02 | 0.01 | 0.01 | 0.03 | |
| all-cis-4,7,10,13,16-Docosapentaenoic acid | 0.02 | 0.05 | 0.02 | 0.01 | 0.01 | 0.03 | - | 0.04 | 0.01 | 0.02 | |
| Allothreonine | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| aminoadipate | 0.01 | 0.02 | 0.01 | 0.02 | 0.04 | 0.02 | 0.01 | 0.02 | 0.02 | 0.01 | |
| AMP | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | |
| Aniline-2-Sulfonate | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.01 | 0.00 | 0.01 | |
| Anserine | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Arachidic acid | 0.12 | 0.13 | 0.22 | 0.12 | 0.01 | 0.11 | 0.39 | 0.12 | 0.12 | 0.08 | |
| Arachidonic acid | 0.06 | 0.10 | 0.08 | 0.07 | 0.10 | 0.08 | 0.03 | 0.09 | 0.04 | 0.08 | |
| Arginine | 0.09 | 0.08 | 0.12 | 0.07 | 0.12 | 0.09 | 0.07 | 0.08 | 0.14 | 0.29 | |
| Argininosuccinate | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Ascorbic acid | 0.43 | 0.44 | 0.30 | 0.27 | 0.78 | 0.26 | 0.18 | 0.32 | 0.31 | 0.19 | |
| Asparagine | 0.01 | 0.01 | 0.02 | 0.00 | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | 0.01 | |
| Aspartate | 0.14 | 0.14 | 0.13 | 0.19 | 0.63 | 0.16 | 0.24 | 0.22 | 0.17 | 0.21 | |
| Azelate | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | |
| Behenic acid | 0.06 | 0.05 | 0.10 | 0.05 | 0.00 | 0.04 | 0.12 | 0.04 | 0.04 | 0.03 | |
| Benzaldehyde | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | - | 0.00 | 0.00 | 0.00 | |
| Benzyl Alcohol | 0.03 | 0.04 | 0.04 | 0.03 | 0.14 | 0.02 | 0.03 | 0.04 | 0.02 | 0.01 | |
| Beta-Alanine | 0.58 | 0.42 | 0.29 | 0.52 | 0.65 | 0.55 | 0.19 | 0.46 | 0.37 | 0.88 | |
| Beta-hydroxyvaleric Acid | 0.07 | 0.06 | 0.04 | 0.09 | 0.01 | 0.09 | 0.04 | 0.07 | 0.05 | 0.07 | |
| Betaine | 1.41 | 1.37 | 1.18 | 1.27 | 2.46 | 1.08 | 1.13 | 2.13 | 0.76 | 0.76 | |
| Biotin | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | |
| Bis(2-Ethylhexyl)Phthalate | 0.45 | 0.69 | 0.80 | 0.51 | 4.72 | 0.93 | 1.26 | 1.24 | 0.76 | 1.94 | |
| Buthionine-sulfoximine | 0.01 | 0.02 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | |
| Butyric acid | 9.69 | 5.22 | 4.51 | 6.71 | 11.27 | 5.59 | 5.28 | 8.75 | 7.55 | 6.59 | |
| Butyryl-carnitine | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | 0.02 | |
| Caffeate | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Carnitine | 0.24 | 0.18 | 0.10 | 0.19 | 0.09 | 0.12 | 0.05 | 0.20 | 0.11 | 0.25 | |
| Carnosine | 0.01 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | |
| Cholate | 0.35 | 0.27 | 0.13 | 0.17 | 0.12 | 1.29 | 0.58 | 0.91 | 0.13 | 2.15 | |
| Choline | 0.24 | 0.31 | 0.17 | 0.31 | 0.38 | 0.25 | 0.09 | 0.30 | 0.27 | 0.55 | |
| Cinnamate | 0.00 | 0.00 | 0.00 | 0.00 | - | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| cis-10-Nonadecenoic acid | 0.02 | 0.03 | 0.05 | 0.02 | 0.01 | 0.02 | 0.02 | 0.02 | 0.04 | 0.01 | |
| cis-11-Eicosenoic acid | 0.07 | 0.11 | 0.12 | 0.05 | 0.09 | 0.09 | 0.17 | 0.09 | 0.10 | 0.04 | |
| Cis-4-Hydroxy-D-Proline | 0.03 | 0.02 | 0.02 | 0.08 | 0.05 | 0.05 | 0.02 | 0.03 | 0.04 | 0.07 | |
| cis-5-Dodecenoic acid | 0.09 | 0.10 | 0.02 | 0.09 | - | 0.08 | 0.02 | 0.09 | 0.03 | 0.05 | |
| cis-7,10,13,16-Docosatetraenoic acid | 0.02 | 0.03 | 0.03 | 0.02 | 0.01 | 0.02 | - | 0.03 | 0.01 | 0.01 | |
| cis-aconitate | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Citramalate | 0.10 | 0.09 | 0.06 | 0.12 | 0.17 | 0.06 | 0.03 | 0.07 | 0.07 | 0.08 | |
| Citrate | 0.04 | 0.03 | 0.01 | 0.05 | 0.03 | 0.04 | 0.01 | 0.03 | 0.02 | 0.17 | |
| Citrulline | 0.03 | 0.02 | 0.01 | 0.02 | 0.10 | 0.03 | 0.01 | 0.03 | 0.04 | 0.03 | |
| CMP | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Cortexolone | 0.02 | 0.03 | 0.02 | 0.03 | 0.01 | 0.03 | 0.02 | 0.02 | 0.02 | 0.01 | |
| Cortisone | 0.02 | 0.03 | 0.03 | 0.01 | 0.03 | 0.01 | - | 0.02 | 0.03 | 0.03 | |
| Creatine | 1.65 | 0.51 | 0.90 | 0.48 | 0.10 | 0.32 | 0.82 | 0.63 | 0.40 | 2.50 | |
| Creatinine | 0.57 | 0.15 | 0.11 | 0.49 | 0.02 | 0.33 | 0.37 | 0.51 | 0.12 | 0.85 | |
| Crotonic acid | 0.11 | 0.12 | 0.11 | 0.07 | 0.01 | 0.11 | 0.09 | 0.09 | 0.13 | 0.07 | |
| Cys-Gly | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Cystathionine | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Cysteate | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Cysteine | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Cystine | 0.00 | 0.00 | 0.05 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.03 | |
| Cytidine | 0.02 | 0.02 | 0.03 | 0.03 | 0.03 | 0.02 | 0.01 | 0.02 | 0.03 | 0.03 | |
| Cytosine | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.00 | 0.01 | 0.01 | 0.01 | |
| Decanoic acid | 0.40 | 0.46 | 0.37 | 0.42 | 0.07 | 0.37 | 0.36 | 0.40 | 0.38 | 0.29 | |
| Dehydroascorbate | 0.00 | 0.00 | 0.00 | 0.00 | - | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Deoxycarnitine | 3.47 | 2.40 | 1.71 | 5.68 | 0.65 | 6.23 | 0.61 | 4.80 | 1.49 | 4.06 | |
| Deoxycholate | 0.45 | 0.70 | 0.81 | 0.52 | 4.72 | 0.93 | 1.26 | 1.25 | 0.76 | 1.94 | |
| Deoxycytidine | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | |
| Deoxycytidine Monophosphate | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Deoxyguanosine | 0.03 | 0.02 | 0.02 | 0.04 | 0.02 | 0.03 | 0.01 | 0.02 | 0.02 | 0.02 | |
| Deoxyguanosine monophosphate | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.02 | 0.03 | 0.01 | 0.02 | 0.01 | |
| Deoxyribose | 0.02 | 0.02 | 0.03 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | |
| Deoxyuridine | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | |
| Dethiobiotin | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | - | 0.01 | 0.01 | 0.02 | |
| DHAP | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | |
| Diaminopimelate | 0.00 | 0.00 | 0.00 | 0.01 | 0.02 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Didecanoyl-Glycerophosphocholine | 0.03 | 0.03 | 0.02 | 0.02 | - | 0.03 | - | 0.02 | 0.01 | 0.02 | |
| Diethanolamine | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | |
| Diethyl 2-Methyl-3-Oxosuccinate | 0.04 | 0.04 | 0.03 | 0.03 | 0.01 | 0.04 | 0.03 | 0.04 | 0.04 | 0.03 | |
| Dihydrobiopterin | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | |
| Dihydrouracil | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | |
| Dimethylarginine | 0.03 | 0.02 | 0.01 | 0.04 | 0.20 | 0.04 | 0.02 | 0.05 | 0.03 | 0.06 | |
| Dimethylglycine | 0.07 | 0.08 | 0.07 | 0.06 | 0.03 | 0.06 | 0.06 | 0.07 | 0.09 | 0.05 | |
| D-Mannosamine | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | |
| Docosahexaenoic acid | 0.02 | 0.06 | 0.03 | 0.04 | 0.01 | 0.03 | 0.02 | 0.03 | 0.03 | 0.03 | |
| Docosatrienoic Acid | 0.01 | 0.01 | 0.03 | 0.02 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | |
| Dodecanoic acid | 0.62 | 1.12 | 0.82 | 0.61 | 0.10 | 0.50 | 0.27 | 0.82 | 0.33 | 0.36 | |
| Dopamine | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | |
| D-Pinitol | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | |
| D-Sedoheptulose | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Eicosapentaenoic acid | 0.01 | 0.04 | 0.02 | 0.01 | 0.01 | 0.01 | 0.03 | 0.01 | 0.03 | 0.03 | |
| Epinephrine | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Erucic acid | 0.01 | 0.03 | 0.01 | 0.01 | 0.00 | 0.02 | 0.01 | 0.02 | 0.02 | 0.01 | |
| Farnesyl pyrophosphate | 0.02 | 0.02 | 0.01 | 0.02 | 0.01 | 0.02 | 0.01 | 0.02 | 0.02 | 0.01 | |
| Ferulate | 0.02 | 0.01 | 0.01 | 0.02 | 0.00 | 0.01 | 0.00 | 0.02 | 0.01 | 0.02 | |
| Fructose | 0.03 | 0.02 | 0.01 | 0.02 | 0.02 | 0.02 | 0.01 | 0.02 | 0.01 | 0.07 | |
| Fructose-6-phosphate | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | |
| Fumarate | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | |
| GABA | 0.29 | 0.18 | 0.20 | 0.34 | 0.24 | 0.35 | 0.17 | 0.29 | 0.34 | 0.73 | |
| Galactarate | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Galactosamine | 0.01 | 0.01 | 0.01 | 0.01 | 0.13 | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | |
| Galactose 1-Phosphate | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | |
| Galacturonate | 0.06 | 0.02 | 0.01 | 0.05 | 0.04 | 0.03 | 0.02 | 0.03 | 0.04 | 0.05 | |
| Gemcitabine | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Glucosaminate | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Glucosamine | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Glucosamine-6-Phosphate | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | |
| Glucose | 0.04 | 0.03 | 0.03 | 0.06 | 0.11 | 0.03 | 0.02 | 0.06 | 0.03 | 0.08 | |
| Glucose 6-Phosphate | 0.02 | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | 0.03 | 0.02 | 0.02 | 0.02 | |
| Glucuronolactone | 0.09 | 0.10 | 0.03 | 0.08 | 0.00 | 0.09 | 0.03 | 0.07 | 0.03 | 0.05 | |
| Glutamate | 1.86 | 2.07 | 2.03 | 1.85 | 7.08 | 2.06 | 1.95 | 2.48 | 2.66 | 2.44 | |
| Glutamine | 0.17 | 0.25 | 0.23 | 0.23 | 0.13 | 0.14 | 0.20 | 0.23 | 0.18 | 0.89 | |
| Glutarate | 0.08 | 0.09 | 0.04 | 0.06 | 0.41 | 0.08 | 0.02 | 0.07 | 0.06 | 0.03 | |
| Glutarylcarnitine | 0.00 | 0.00 | 0.00 | 0.00 | - | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Glyceraldehyde 3-phosphate | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | |
| Glycerate | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | |
| Glycerol | 0.58 | 0.62 | 0.46 | 0.64 | 0.12 | 0.62 | 0.40 | 0.56 | 0.37 | 0.28 | |
| Glycerol 3-phosphate | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | |
| Glycerol Myristate | 0.01 | 0.01 | 0.01 | 0.01 | - | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | |
| Glycine | 0.03 | 0.03 | 0.02 | 0.02 | 0.02 | 0.03 | 0.02 | 0.02 | 0.03 | 0.11 | |
| Glycochenodeoxycholate | 0.02 | 0.04 | 0.01 | 0.02 | 0.01 | 0.01 | 0.36 | 0.02 | 0.02 | 0.07 | |
| Glycocholate | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.35 | 0.03 | 0.02 | 0.09 | |
| Glycolate | 7.24 | 7.43 | 7.21 | 6.26 | 1.79 | 6.31 | 6.63 | 6.03 | 8.63 | 4.75 | |
| GMP | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| GPP | 0.00 | 0.00 | 0.00 | 0.00 | - | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Guaiacol | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Guanidinoacetate | 0.02 | 0.01 | 0.01 | 0.02 | 0.03 | 0.01 | 0.01 | 0.01 | 0.01 | 0.04 | |
| Guanidinosuccinic Acid | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Guanine | 0.03 | 0.03 | 0.02 | 0.03 | 0.03 | 0.03 | 0.03 | 0.04 | 0.03 | 0.05 | |
| Guanosine | 0.03 | 0.02 | 0.02 | 0.02 | 0.01 | 0.02 | 0.02 | 0.02 | 0.03 | 0.02 | |
| Gulonolactone | 0.06 | 0.05 | 0.03 | 0.05 | 0.01 | 0.06 | 0.02 | 0.05 | 0.04 | 0.04 | |
| Heneicosanoic acid | 0.01 | 0.01 | 0.03 | 0.01 | - | 0.01 | 0.03 | 0.01 | 0.01 | 0.01 | |
| Heptanoic acid | 0.78 | 0.93 | 0.83 | 0.88 | 0.19 | 0.64 | 1.42 | 0.76 | 1.29 | 0.77 | |
| Hexanoic acid | 1.16 | 1.07 | 0.66 | 1.10 | 0.18 | 0.71 | 1.48 | 1.09 | 1.52 | 0.92 | |
| Hippurate | 0.01 | 0.09 | 0.05 | 0.03 | 0.00 | 0.01 | 0.02 | 0.05 | 0.04 | 0.58 | |
| Histamine | 0.01 | 0.02 | 0.01 | 0.02 | 0.00 | 0.04 | 0.00 | 0.01 | 0.02 | 0.02 | |
| Histidine | 0.04 | 0.05 | 0.03 | 0.02 | 0.13 | 0.02 | 0.04 | 0.04 | 0.04 | 0.24 | |
| Homocysteine | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | |
| Homoserine | 0.04 | 0.03 | 0.01 | 0.05 | 0.05 | 0.03 | 0.01 | 0.03 | 0.02 | 0.04 | |
| Hydroquinone | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | |
| Hypotaurine | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Hypoxanthine | 0.59 | 0.48 | 0.47 | 0.69 | 1.86 | 0.48 | 0.21 | 0.61 | 0.57 | 0.62 | |
| Indole-3-Acetamide | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Indole-3-Acetate | 0.01 | 0.01 | 0.01 | 0.01 | 0.11 | 0.03 | 0.00 | 0.03 | 0.03 | 0.00 | |
| Indole-3-Methyl Acetate | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | |
| Indole-3-Pyruvate | 0.02 | 0.02 | 0.01 | 0.02 | 0.00 | 0.02 | 0.01 | 0.01 | 0.01 | 0.02 | |
| Indoxyl-Glucoside | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Inosine | 0.13 | 0.08 | 0.09 | 0.11 | 0.03 | 0.08 | 0.06 | 0.09 | 0.12 | 0.07 | |
| Isoleucine | 1.16 | 1.67 | 0.61 | 1.27 | 2.25 | 1.87 | 0.70 | 1.36 | 0.63 | 3.41 | |
| Itaconate | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Kynurenate | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | 0.01 | 0.00 | |
| Kynurenine | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Lactose | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | |
| L-Cysteic Acid | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| L-Dopa | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | |
| Leucine | 1.44 | 1.81 | 0.97 | 1.75 | 4.96 | 2.76 | 1.01 | 1.82 | 1.05 | 3.91 | |
| Lignoceric acid | 0.02 | 0.02 | 0.05 | 0.02 | 0.00 | 0.01 | 0.04 | 0.02 | 0.01 | 0.01 | |
| Linoleic acid | 2.03 | 3.21 | 4.70 | 2.40 | 1.70 | 2.49 | 3.97 | 1.80 | 4.60 | 1.51 | |
| Linolenic acid | 0.12 | 0.26 | 0.24 | 0.34 | 0.10 | 0.51 | 0.08 | 0.12 | 0.47 | 0.09 | |
| Lithocholate | 0.70 | 0.58 | 0.92 | 0.55 | 2.45 | 0.47 | 0.97 | 0.87 | 0.89 | 0.61 | |
| Lithocholyltaurine | 0.01 | 0.01 | 0.01 | 0.02 | 0.00 | 0.01 | - | 0.01 | 0.01 | 0.01 | |
| Lumichrome | 0.03 | 0.04 | 0.03 | 0.02 | 0.01 | 0.03 | 0.02 | 0.03 | 0.02 | 0.01 | |
| Lysine | 0.28 | 0.24 | 0.18 | 0.34 | 1.13 | 0.36 | 0.16 | 0.28 | 0.22 | 0.28 | |
| Malate | 0.65 | 0.61 | 0.37 | 0.80 | 1.47 | 0.55 | 0.43 | 0.60 | 0.72 | 0.69 | |
| Maleamate | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Maleate | 0.16 | 0.17 | 0.11 | 0.15 | 0.03 | 0.15 | 0.09 | 0.16 | 0.13 | 0.12 | |
| Maleimide | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Malonate | 0.02 | 0.02 | 0.03 | 0.05 | 0.01 | 0.02 | 0.02 | 0.01 | 0.03 | 0.02 | |
| Mandelate | 0.05 | 0.03 | 0.03 | 0.13 | 0.03 | 0.09 | 0.02 | 0.04 | 0.02 | 0.05 | |
| Mannitol | 0.01 | 0.01 | 0.00 | 0.02 | 0.01 | 0.01 | 0.00 | 0.02 | 0.00 | 0.02 | |
| Melatonin | 0.04 | 0.03 | 0.03 | 0.01 | 0.02 | 0.02 | 0.03 | 0.03 | 0.05 | 0.00 | |
| Mesaconic acid | 0.01 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | |
| Mesoxalate | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Methionine | 0.40 | 0.34 | 0.26 | 0.48 | 0.87 | 0.63 | 0.13 | 0.41 | 0.19 | 1.06 | |
| Methionine Sulfoximine | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Methyglutarate | 0.00 | 0.00 | 0.00 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | |
| Methyl 4-Aminobutyrate | 0.10 | 0.15 | 0.09 | 0.09 | 0.06 | 0.10 | 0.08 | 0.10 | 0.13 | 0.08 | |
| Methylarginine | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Methyl Galactoside | 0.01 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | |
| Methylguanidine | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Methyl Jasmonate | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | |
| methyl-lysine | 0.01 | 0.01 | 0.01 | 0.01 | 0.07 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | |
| Methylmalonate | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Methylthioadenosine | 0.00 | 0.01 | 0.00 | 0.06 | 0.00 | 0.00 | 0.01 | 0.00 | 0.01 | 0.04 | |
| Methyl Vanillate | 0.04 | 0.04 | 0.03 | 0.04 | 0.00 | 0.04 | 0.03 | 0.04 | 0.03 | 0.03 | |
| Mevalolactone | 0.07 | 0.10 | 0.07 | 0.08 | 0.02 | 0.08 | 0.05 | 0.09 | 0.06 | 0.08 | |
| Mevalonate | 0.08 | 0.05 | 0.03 | 0.07 | 0.01 | 0.07 | 0.05 | 0.09 | 0.07 | 0.06 | |
| Monoethylmalonate | 0.07 | 0.07 | 0.06 | 0.06 | 0.01 | 0.07 | 0.07 | 0.06 | 0.06 | 0.05 | |
| Myo-Inositol | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | |
| Myristic acid | 1.12 | 1.23 | 1.23 | 1.09 | 0.54 | 1.12 | 0.54 | 1.12 | 0.78 | 0.84 | |
| Myristoleic acid | 0.02 | 0.02 | 0.02 | 0.03 | 0.01 | 0.02 | 0.01 | 0.02 | 0.02 | 0.02 | |
| N6-(Delta2-Isopentenyl)-Adenine | 0.01 | 0.02 | 0.01 | 0.02 | - | 0.01 | - | 0.02 | 0.06 | 0.01 | |
| N-Acetylalanine | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | |
| N-Acetylasparagine | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | |
| N-Acetylglucosamine | 0.10 | 0.07 | 0.07 | 0.17 | 0.18 | 0.16 | 0.05 | 0.15 | 0.12 | 0.26 | |
| N-Acetylglutamate | 0.18 | 0.20 | 0.23 | 0.18 | 0.63 | 0.17 | 0.16 | 0.24 | 0.23 | 0.09 | |
| N-Acetylglycine | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | |
| N-Acetyl-L-Aspartic Acid | 0.12 | 0.13 | 0.15 | 0.11 | 0.34 | 0.16 | 0.09 | 0.21 | 0.18 | 0.16 | |
| N-Acetylleucine | 0.04 | 0.03 | 0.01 | 0.03 | 0.05 | 0.04 | 0.01 | 0.03 | 0.02 | 0.04 | |
| N-Acetyl-L-glutamine | 0.05 | 0.04 | 0.03 | 0.04 | 0.02 | 0.04 | 0.02 | 0.05 | 0.09 | 0.03 | |
| N-Acetylmethionine | 0.03 | 0.03 | 0.03 | 0.03 | 0.01 | 0.02 | 0.02 | 0.02 | 0.03 | 0.01 | |
| N-Acetylneuraminate | 0.11 | 0.04 | 0.04 | 0.10 | 0.12 | 0.11 | 0.03 | 0.08 | 0.05 | 0.13 | |
| N-Acetylphenylalanine | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | |
| N-Acetylputrescine | 0.57 | 0.45 | 0.19 | 1.54 | 0.24 | 1.61 | 0.15 | 1.13 | 0.33 | 2.11 | |
| N-Acetylserine | 0.04 | 0.02 | 0.01 | 0.04 | 0.00 | 0.02 | 0.01 | 0.02 | 0.02 | 0.02 | |
| N-Acetylserotonin | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | |
| N-Acetyltryptophan | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | |
| NAD+ | 0.01 | 0.01 | 0.01 | 0.00 | - | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | |
| N-Alpha-Acetyllysine | 0.17 | 0.13 | 0.11 | 0.19 | 0.55 | 0.18 | 0.08 | 0.18 | 0.15 | 0.08 | |
| NAPQI | 0.02 | 0.04 | 0.01 | 0.08 | 0.01 | 0.02 | 0.01 | 0.02 | 0.03 | 0.04 | |
| N-Carbamoyl-L-aspartate | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Nervonic acid | 0.01 | 0.01 | 0.02 | 0.01 | 0.00 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | |
| N-Formylglycine | 0.01 | 0.01 | 0.02 | 0.01 | 0.00 | 0.01 | 0.02 | 0.01 | 0.02 | 0.01 | |
| N-Formyl-L-Methionine | 0.01 | 0.01 | 0.03 | 0.01 | 0.00 | 0.01 | 0.04 | 0.01 | 0.06 | 0.02 | |
| Nicotinamide | 0.13 | 0.06 | 0.01 | 0.22 | 0.00 | 0.17 | 0.07 | 0.12 | 0.04 | 0.14 | |
| Nicotinamide Mononucleotide | 0.01 | 0.00 | 0.01 | 0.01 | - | 0.01 | 0.00 | 0.01 | 0.00 | 0.01 | |
| Nicotinate | 0.13 | 0.12 | 0.10 | 0.12 | 0.13 | 0.14 | 0.12 | 0.12 | 0.17 | 0.09 | |
| N-Methylaspartate | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| N-Methylglutamate | 0.05 | 0.05 | 0.05 | 0.05 | 0.10 | 0.04 | 0.05 | 0.06 | 0.07 | 0.03 | |
| Nonadecanoic acid | 0.03 | 0.03 | 0.04 | 0.03 | - | 0.03 | 0.04 | 0.03 | 0.03 | 0.03 | |
| Nonanoic acid | 1.61 | 1.66 | 1.56 | 1.58 | 0.40 | 1.43 | 2.24 | 1.42 | 2.02 | 1.32 | |
| Norepinephrine | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Normetanephrine | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Norvaline | 0.34 | 0.31 | 0.24 | 0.27 | 0.81 | 0.28 | 0.28 | 0.45 | 0.21 | 0.23 | |
| O-Acetylserine | 0.06 | 0.02 | 0.01 | 0.04 | 0.00 | 0.02 | 0.01 | 0.02 | 0.02 | 0.03 | |
| Octanoic acid | 0.77 | 0.97 | 1.28 | 0.86 | 0.46 | 0.66 | 2.48 | 0.79 | 2.01 | 0.69 | |
| Oleic acid | 6.24 | 8.04 | 12.13 | 4.01 | 5.82 | 4.09 | 13.99 | 5.15 | 7.91 | 2.75 | |
| Oleoyl-Glycerol | 0.02 | 0.03 | 0.05 | 0.03 | 0.07 | 0.01 | 0.15 | 0.02 | 0.03 | 0.03 | |
| Omega-Hydroxydodecanoate | 0.02 | 0.02 | 0.01 | 0.02 | 0.01 | 0.02 | 0.01 | 0.02 | 0.02 | 0.01 | |
| Ophthalmate | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Ornithine | 0.06 | 0.04 | 0.05 | 0.05 | 0.17 | 0.04 | 0.04 | 0.04 | 0.05 | 0.08 | |
| Orotate | 0.01 | 0.01 | 0.01 | 0.01 | 0.03 | 0.01 | 0.01 | 0.02 | 0.01 | 0.05 | |
| O-Succinyl-Homoserine | 0.01 | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | |
| Oxalate | 0.11 | 0.11 | 0.05 | 0.11 | 0.01 | 0.10 | 0.05 | 0.09 | 0.07 | 0.08 | |
| Oxoadipate | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Oxoglutarate | 0.08 | 0.10 | 0.09 | 0.10 | 0.02 | 0.10 | 0.03 | 0.09 | 0.10 | 0.04 | |
| Oxoproline | 0.07 | 0.07 | 0.14 | 0.05 | 0.04 | 0.06 | 0.06 | 0.06 | 0.07 | 0.20 | |
| Palmitic acid | 9.42 | 11.20 | 15.28 | 11.12 | 5.21 | 11.41 | 12.41 | 10.91 | 11.23 | 8.17 | |
| Palmitoleic acid | 0.16 | 0.21 | 0.24 | 0.16 | 1.03 | 0.17 | 0.17 | 0.23 | 0.20 | 0.15 | |
| Paraxanthine | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.01 | 0.00 | |
| Pentadecanoic acid | 0.74 | 0.92 | 1.23 | 0.58 | 1.52 | 0.64 | 0.47 | 0.87 | 1.06 | 0.37 | |
| Pentanoate | 1.56 | 1.31 | 1.00 | 1.14 | 5.49 | 1.28 | 1.14 | 1.59 | 1.41 | 0.62 | |
| PEP | 0.00 | 0.00 | 0.00 | 0.00 | - | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Phenylacetaldehyde | 0.01 | 0.01 | 0.01 | 0.02 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.01 | |
| Phenylalanine | 0.81 | 0.71 | 0.39 | 1.44 | 0.54 | 1.66 | 0.47 | 0.65 | 0.24 | 2.52 | |
| Phenylethanolamine | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Phenylpyruvate | 0.13 | 0.13 | 0.09 | 0.12 | 0.02 | 0.11 | 0.09 | 0.11 | 0.13 | 0.08 | |
| Phosphoserine | 0.00 | 0.00 | 0.00 | 0.00 | - | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | |
| Picolinate | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Pipecolate | 1.05 | 0.76 | 1.22 | 0.65 | 2.19 | 0.54 | 0.44 | 0.91 | 0.63 | 0.19 | |
| P-Octopamine | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Proline | 0.98 | 0.77 | 0.82 | 0.79 | 1.12 | 0.83 | 0.45 | 0.71 | 0.85 | 2.09 | |
| Propionyl-carnitine | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | |
| Protoporphyrin | 0.03 | 0.02 | 0.02 | 0.01 | 0.01 | 0.07 | - | 0.03 | 0.03 | 0.02 | |
| Pterin | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Pyridoxal | 0.07 | 0.08 | 0.04 | 0.09 | 0.02 | 0.06 | 0.04 | 0.06 | 0.07 | 0.03 | |
| Pyridoxine | 0.18 | 0.25 | 0.05 | 0.17 | 0.05 | 0.17 | 0.04 | 0.20 | 0.05 | 0.11 | |
| Pyrocatechol | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | - | 0.00 | 0.00 | 0.00 | |
| Pyruvate | 0.04 | 0.02 | 0.03 | 0.04 | 0.01 | 0.02 | 0.04 | 0.03 | 0.03 | 0.06 | |
| Quinate | 0.01 | 0.01 | 0.01 | 0.02 | 0.00 | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | |
| Quinolinate | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Quinoline | 0.01 | 0.01 | 0.01 | - | - | 0.00 | 0.03 | 0.01 | 0.02 | 0.00 | |
| Raffinose | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | 0.00 | 0.01 | 0.01 | 0.04 | |
| Rhamnose | 0.02 | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | |
| Riboflavin | 0.01 | 0.04 | 0.01 | 0.01 | 0.03 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | |
| Ribose | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | |
| Ribose phosphate | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Ricinoleic acid | 0.54 | 1.23 | 1.09 | 1.03 | 0.44 | 0.92 | 1.22 | 1.00 | 0.61 | 0.47 | |
| Saccharate | 0.00 | 0.00 | 0.00 | 0.00 | - | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| S-Adenosyl-L-methionine | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.01 | 0.00 | 0.01 | 0.00 | |
| SAICAr | 0.00 | 0.00 | 0.00 | 0.00 | - | 0.00 | - | 0.00 | 0.00 | 0.00 | |
| Salicylamide | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | |
| Salicylate | 0.04 | 0.05 | 0.03 | 0.04 | 0.02 | 0.04 | 0.03 | 0.03 | 0.05 | 0.03 | |
| Salsolinol | 0.02 | 0.02 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | |
| Sarcosine | 0.00 | 0.00 | 0.00 | 0.00 | - | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Sedoheptulose-7-phosphate | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | |
| Serine | 0.05 | 0.04 | 0.03 | 0.04 | 0.04 | 0.04 | 0.03 | 0.04 | 0.04 | 0.04 | |
| Serotonin | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| S-Hexyl-Glutathione | 0.00 | 0.00 | 0.00 | 0.00 | - | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Shikimate | 0.01 | 0.02 | 0.02 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.02 | 0.01 | |
| Sn-Glycero-3-Phosphocholine | 0.01 | 0.04 | 0.04 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.01 | 0.03 | |
| Sorbate | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.01 | 0.00 | 0.01 | 0.01 | 0.00 | |
| Sphinganine | 0.10 | 0.16 | 0.14 | 0.27 | 0.07 | 0.22 | 0.22 | 0.21 | 0.09 | 0.11 | |
| Stachydrine | 0.67 | 0.50 | 0.49 | 0.44 | 2.28 | 1.08 | 0.50 | 0.51 | 0.73 | 0.30 | |
| Stachyose | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | |
| Stearic acid | 8.38 | 8.95 | 10.18 | 6.46 | 0.98 | 6.17 | 11.54 | 6.40 | 5.61 | 4.91 | |
| Suberate | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Succinic Acid | 0.34 | 0.19 | 0.08 | 1.85 | 0.17 | 0.64 | 0.08 | 0.27 | 0.47 | 1.26 | |
| Succinyladenosine | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Sucrose | 0.01 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.02 | |
| Tartrate | 1.45 | 1.38 | 0.52 | 1.17 | 0.16 | 1.29 | 1.11 | 1.15 | 1.45 | 0.91 | |
| Taurine | 0.11 | 0.10 | 0.07 | 0.26 | 0.02 | 0.15 | 0.02 | 0.13 | 0.03 | 0.23 | |
| Tetrahydrofolate | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | - | 0.00 | 0.00 | 0.00 | |
| Theophylline | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.03 | |
| Thiamine | 0.00 | 0.01 | 0.00 | 0.00 | 0.01 | 0.00 | 0.08 | 0.01 | 0.00 | 0.00 | |
| Thiamine Monophosphate | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | |
| Thiopurine S-Methylether | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | |
| Threitol | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Threonine | 0.19 | 0.18 | 0.10 | 0.16 | 0.35 | 0.16 | 0.12 | 0.17 | 0.12 | 0.42 | |
| Thymidine | 0.02 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.02 | 0.01 | 0.02 | |
| Thymine | 0.08 | 0.06 | 0.06 | 0.09 | 0.16 | 0.11 | 0.02 | 0.10 | 0.05 | 0.13 | |
| Thyrotropin Releasing Hormone | 0.00 | 0.00 | 0.00 | 0.00 | - | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| TMP | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| trans-3-Hexenoic acid | 0.02 | 0.02 | 0.01 | 0.02 | 0.00 | 0.02 | 0.01 | 0.02 | 0.02 | 0.01 | |
| Trans-4-Hydroxy-L-Proline | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| trans,trans-Muconic acid | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Trehalose | 0.02 | 0.02 | 0.03 | 0.04 | 0.02 | 0.02 | 0.01 | 0.03 | 0.03 | 0.08 | |
| Tricosanoic acid | 0.01 | 0.01 | 0.02 | 0.02 | - | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | |
| Tridecanoic acid | 0.11 | 0.12 | 0.10 | 0.11 | 0.06 | 0.11 | 0.07 | 0.11 | 0.10 | 0.08 | |
| Trigonelline | 0.16 | 0.17 | 0.31 | 0.16 | 0.04 | 0.13 | 0.05 | 0.26 | 0.08 | 0.32 | |
| Trimethyllysine | 0.05 | 0.02 | 0.01 | 0.03 | 0.05 | 0.04 | 0.04 | 0.05 | 0.01 | 0.12 | |
| Tryptamine | 0.00 | 0.00 | 0.00 | 0.00 | - | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Tryptophan | 0.15 | 0.09 | 0.09 | 0.12 | 0.81 | 0.21 | 0.11 | 0.13 | 0.12 | 0.43 | |
| Tryptophanamide | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | |
| Tyramine | 0.16 | 0.10 | 0.02 | 0.17 | 0.02 | 0.26 | 0.28 | 0.16 | 0.04 | 0.16 | |
| Tyrosine | 0.48 | 0.42 | 0.18 | 1.13 | 0.66 | 0.63 | 0.29 | 0.31 | 0.23 | 1.23 | |
| UDP | 0.00 | 0.00 | 0.00 | 0.00 | - | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| UMP | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Undecanoic acid | 0.10 | 0.10 | 0.08 | 0.09 | 0.03 | 0.09 | 0.08 | 0.09 | 0.09 | 0.07 | |
| Uracil | 0.04 | 0.03 | 0.04 | 0.05 | 0.20 | 0.05 | 0.01 | 0.06 | 0.03 | 0.06 | |
| Urate | 0.03 | 0.02 | 0.01 | 0.02 | 0.02 | 0.02 | 0.00 | 0.02 | 0.01 | 0.06 | |
| Ureidopropionate | 0.01 | 0.05 | 0.00 | 0.01 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | 0.03 | |
| Uridine | 0.04 | 0.02 | 0.02 | 0.03 | 0.05 | 0.03 | 0.01 | 0.03 | 0.03 | 0.02 | |
| Urocanate | 0.22 | 0.18 | 0.29 | 0.24 | 0.52 | 0.13 | 0.25 | 0.19 | 0.39 | 0.23 | |
| Valine | 0.60 | 0.58 | 0.32 | 0.63 | 0.79 | 0.90 | 0.40 | 0.63 | 0.35 | 1.68 | |
| Xanthine | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Xanthosine | 0.00 | 0.00 | 0.01 | 0.01 | - | 0.01 | 0.00 | 0.00 | 0.01 | 0.00 | |
| Xanthurenate | 0.01 | 0.02 | 0.01 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | |
| Ximeninic Acid | 0.11 | 0.23 | 0.23 | 0.28 | 0.08 | 0.41 | 0.07 | 0.10 | 0.40 | 0.08 | |
| Xylitol | 0.01 | 0.01 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | |
| Xylose | 0.08 | 0.08 | 0.06 | 0.07 | 0.04 | 0.06 | 0.05 | 0.06 | 0.08 | 0.07 |
Factors:
| F1 | Sex:Female | Smoking:current | Sample source:Feces | Dx:CD |
| F2 | Sex:Female | Smoking:never_used | Sample source:Feces | Dx:CD |
| F3 | Sex:Female | Smoking:never_used | Sample source:Feces | Dx:Control |
| F4 | Sex:Female | Smoking:previous | Sample source:Feces | Dx:CD |
| F5 | Sex:Female | Smoking:previous | Sample source:Feces | Dx:Control |
| F6 | Sex:Male | Smoking:current | Sample source:Feces | Dx:CD |
| F7 | Sex:Male | Smoking:current | Sample source:Feces | Dx:Control |
| F8 | Sex:Male | Smoking:never_used | Sample source:Feces | Dx:CD |
| F9 | Sex:Male | Smoking:never_used | Sample source:Feces | Dx:Control |
| F10 | Sex:Male | Smoking:previous | Sample source:Feces | Dx:CD |
