Table 3.
List of small molecular weight metabolites that play an important role in discrimination of mustard airway disease patients and healthy controls using nuclear magnetic resonance
| No. | Metabolite | δ 1H (p.p.m.)a | Fold change | Direction of variationb | Metabolic pathway |
|---|---|---|---|---|---|
| 1 | Cholesterol | 0.71, 0.83 | 2.1 | ↑ | Steroid biosynthesis |
| 2 | 3-methyl-2-oxovaleric acid | 1.09 | 1.65 | ↑ | BCAA degradation |
| 3 | 3-hydroxyisobutyrate | 1.11 | 1.84 | ↑ | BCAA degradation |
| 4 | Lactic acid | 1.33, 4.13 | 1.5 | ↑ | Glycolysis |
| 5 | Alanine | 1.49, 1.51 | 2.1 | ↓ | Alanine metabolism |
| 6 | Lipid (mainly VLDL) | 1.61 | 1.7 | ↓ | Lipid metabolism |
| 7 | Lysine | 1.71,1.89,3.73 | 1.57 | ↑ | Lysine metabolism |
| 8 | Citrulline | 1.87,3.13 | 2.25 | ↑ | Urea cycle |
| 9 | Acetic acid | 1.93 | 1.96 | ↑ | Lipid metabolism |
| 10 | Acetoacetate | 2.23 | 1.54 | ↑ | Synthesis and degradation of Ketone bodies |
| 11 | L-Glutamic acid | 2.45 | 1.62 | ↑ | Glutamine and glutamate metabolism |
| 12 | Dimethylamine | 2.71 | 1.86 | ↑ | Carbon metabolism |
| 13 | Creatine | 3.05 | 1.8 | ↑ | Glycine, serine and threonine Metabolism |
| 14 | Choline | 3.21 | 1.9 | ↑ | Glycerophospholipid metabolism |
| 15 | Proline | 3.35 | 1.67 | ↑ | Arginine and proline metabolism |
| 16 | Hydroxyproline | 3.37 | 1.8 | ↑ | Arginine and proline metabolism |
BCAA: branched-chain amino acid;
a
Chemical shift of signal used for quantification;
b
Increased or decreased in patients compared to healthy controls