Table 6.
CYP-mediated pathway propensities (%) according to the of known substrates of each isozyme. Similar pathways, or those with low relative populations such as Csp2-based reactions (B), are grouped together in order to simplify pathway-based performance analysis in Figure 3
| Pathway | 1A2 | 2A6 | 2B6 | 2C19 | 2C8 | 2C9 | 2D6 | 2E1 | 3A4 | merged |
|---|---|---|---|---|---|---|---|---|---|---|
|
| ||||||||||
| Csp3 Hydroxylation | 13.0 | 11.3 | 9.9 | 10.9 | 10.8 | 15.7 | 9.0 | 14.5 | 10.8 | 13.9 |
| Aromatic Hydroxylation | 16.1 | 11.0 | 12.3 | 7.6 | 10.9 | 12.8 | 10.7 | 18.2 | 10.3 | 14.1 |
| Ring Hydroxylation | 14.1 | 20.0 | 8.4 | 10.4 | 11.8 | 9.0 | 9.1 | 14.2 | 10.5 | 11.9 |
| O-dealkylation | 48.1 | 48.5 | 39.3 | 51.8 | 34.9 | 48.5 | 50.0 | 45.8 | 31.0 | 48.9 |
| N-dealkylation | 43.1 | 48.5 | 44.0 | 38.7 | 46.7 | 35.8 | 29.6 | 39.2 | 44.7 | 43.4 |
| Sulfur(II) Oxidation (A) | 50.0 | 73.3 | 66.7 | 53.3 | 47.0 | 61.1 | 57.9 | 58.8 | 59.7 | 54.4 |
| Sulfur(IV) Oxidation (A) | 100 | 0.0 | 100 | 42.9 | 0 | 33.3 | 100 | None | 100 | 90.9 |
| Desulfuration (A) | 66.7 | 0.0 | 50.0 | 57.1 | 42.9 | 40.0 | 75.0 | 100 | 40.0 | 36.4 |
| Csp2 Oxidation (B) | 17.4 | 20.0 | 18.2 | 15.7 | 19.4 | 20.9 | 5.4 | 17.8 | 8.5 | 20.4 |
| Aldehyde Oxidation (B) | 100 | 100 | 100 | 100 | 100 | 100 | 100 | 75.0 | 71.4 | 70.0 |
| Alcohol Oxidation (B) | 29.4 | 66.7 | 14.3 | 13.6 | 13.6 | 23.8 | 9.7 | 14.3 | 9.6 | 9.2 |
| N-hydroxylation (C) | 9.0 | 15.2 | 7.1 | 7.0 | 7.6 | 5.6 | 7.0 | 13.0 | 5.4 | 8.7 |
| N-oxide Formation (C) | 3.0 | 2.6 | 0 | 1.9 | 3.8 | 2.4 | 3.4 | 5.3 | 4.2 | 4.5 |
| Nitro-group Reduction (C) | 21.4 | 0 | 0 | 0 | 0 | 0 | 0 | 14.3 | 5.9 | 18.2 |
| Dehalogenation (C) | 3.6 | 8.1 | 2.8 | 0 | 1.6 | 0 | 1.1 | 17.6 | 1.3 | 3.3 |
| Uncommon | 0.6 | 1.0 | 0.8 | 0.6 | 1.2 | 0.4 | 0.6 | 1.0 | 0.6 | 0.8 |
| Overall | 12.1 | 12.5 | 10.6 | 9.2 | 10.2 | 10.3 | 9.5 | 13.6 | 9.2 | 11.3 |