Table 4 Comparison of in silico knockout whole-body metabolic models versus healthy whole-body metabolic models using COBRA modeling with GWAS results.
Gene | Metabolite | VMH ID | In silico maximal flux of urine metabolite excretion | Observed effect on urine metabolite concentrations | In silico maximal flux in the blood compartment |
|---|---|---|---|---|---|
HAL | Trans-urocanate | urcan | ↓ | ↓ | ↓ |
ALPL | Phosphoethanolamine | ethamp | = | ↑ | ↑ |
ASLa | Argininosuccinate | argsuc | ↑ | ↑ | ↑ |
ALDH6A1 | 3-Hydroxyisobutyrate | 3hmp | ↑ | ↑ | ↑ |
DMGDH | Dimethylglycine | dmgly | ↑ | ↑ | ↑ |
ACY1 | N-acetylglycine | acgly | ↑ | ↑ | ↑ |
N-acetylglutamate | acglu | ↑ | ↑ | ↑ | |
UPB1 | 3-Ureidoisobutyrate | 3uib | ↑ | ↑ | ↑ |
3-Ureidopropionate | cala | ↑ | ↑ | ↑ |
