Table 2.
Step | Reaction | Alberty | eQuil | Quantum (Neutral) |
Quantum (Anions) |
Jankowski |
---|---|---|---|---|---|---|
1 | ACE + OXA → CIT | −0.81 | −1.19 | +2.49 | +8.97 | −0.71 |
2 | CIT → CAC + H2O | +2.01 | +2.80 | +3.80 | −3.34 | +4.59 |
3 | CAC + H2O → ISC | −0.43 | +1.14 | −3.02 | +3.29 | −3.17 |
4 | ISC → OXS + H2 | +19.04 | +11.09 | +17.22 | +11.30 | +8.02 |
5 | OXS + H2O → AKG + H2CO3 | −9.69 | −2.31 | −8.46 | −7.51 | −12.83 |
6 | AKG + H2O → SUC + H2 + H2CO3 | −6.75 | −4.54 | −7.98 | −3.63 | −4.16 |
7 | SUC → FUM + H2 | +25.38 | +23.78 | +27.12 | +21.53 | +19.12 |
8 | FUM + H2O → MAL | −0.86 | −0.74 | −1.22 | +4.74 | −3.73 |
9 | MAL → OXA + H2 | +16.01 | +14.60 | +15.08 | +14.26 | +8.02 |
Net Cycle: | +43.90 | +44.63 | +45.03 | +49.61 | +15.15 |