dG different between website and api

[Henry Leo]

Hi admin,

Recently, I tried to predict dG using eQuilibrator, but I found the results are different between website and api, may I ask what this is all about? Is there something wrong with the way I'm using it?

Best wish,

Henry

---

This is my code:

from equilibrator_api import ComponentContribution

cc = ComponentContribution()

compound = cc.get_compound("kegg:C00022") # Pyruvate
dg = cc.standard_dg_formation(compound)

print(dg[0]) # -467.91458028218807

---

Website:

https://equilibrator.weizmann.ac.il/metabolite?compoundId=25&reactantsPhase=aqueous&reactantsAbundance=1.000&reactantsAbundanceUnit=millimolar

[Elad Noor]

Hi Henry,

I am sorry that I missed your question for such a long time. The answer is that on the website you are presented with the transformed standard formation energy (ΔG'0)

while in python you can only get the untransformed one (ΔG0, i.e. without the 'prime').

In general, I recommend only sing reaction Gibbs energies (and not formation energies) and if you don't really know the difference between

transformed and untransformed, then use the former (which will also depend on the pH, I and pMg).

Hope this is still relevant and helpful, best,

Elad