ModelSEED / ModelSEEDDatabase

This repository contains the definitive copy of the biochemistry and metadata used to construct models using the ModelSEED/ProbAnno approach
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ACP Formulas and balancing #131

Closed samseaver closed 5 years ago

samseaver commented 5 years ago

Many ACP compounds, from different sources, have conflicting structures and formulas, so, this is a first pass at establishing a base and consistently used formula for ACP compounds, which includes the formula for the phosphopantetheine co-enzyme.

There are many carrier proteins in the ACPs_Master_Formula_Charge.txt for which we haven't yet curated the formula, but will do so over time.

The trickiest part is the consistent use of charge, as it varies, and breaks reactions.