List of significant metabolites accountable for class discriminationa.
| Metabolic pathways | Metabolites | M vs. N | M + Mem vs. M | M + CGA vs. M |
|---|---|---|---|---|
| Beta-alanine metabolism | Beta-alanine | ↓ | ↑ | ↑ |
| Beta-alanine metabolism | Propanedioic acid | ↓ | ↑ | ↑ |
| Glycine, serine and threonine metabolism | Threonine | ↓ | ↑ | ↑ |
| Glycine, serine and threonine metabolism | Serine | ↓ | ↑ | ↑ |
| Galactose metabolism | Galactose | ↓ | – | – |
| Galactose metabolism | Myo-inositol | ↓ | ↑ | ↑ |
| Pyruvate metabolism | d-Lactic acid | ↓ | – | – |
| Pyruvate metabolism | Acetic acid | ↓ | ↑ | ↑ |
| Arginine and proline metabolism | Urea | ↓ | – | – |
| Arginine and proline metabolism | Creatinine | ↓ | ↑ | ↑ |
| Arginine and proline metabolism | Proline | ↓ | ↑ | – |
| Inositol phosphate metabolism | Myo-inositol | ↓ | ↑ | ↑ |
| Ascorbate and aldarate metabolism | Myo-inositol | ↓ | ↑ | ↑ |
| Alanine, aspartate and glutamate metabolism | Asparagine | ↓ | ↑ | – |
| Alanine, aspartate and glutamate metabolism | Alanine | ↓ | ↑ | ↑ |
| Other | Kynurenic acid | ↓ | ↑ | ↑ |
| Other | Hippurate | ↑ | ↓ | ↓ |
a
These metabolites are verified by reference compounds available. The short dash line (–) indicates no significant variation. The arrow denotes the VIP value greater than 1.0 and the up- (or down-) regulation of the arrow represents the relative increased (or decreased) concentration.