ModelSEED/Model-SEED-core — Issue #143: Compound assignment feature request
Author: samseaver
Created: 2012-03-06 16:02:25+00:00
State: open

One of the things that will happen as we work with teams in manually curating their metabolic models, is that we will find compounds that are erroneously merged, or not. Sugars are a culprit here because of stereoisomerism.

What I need, as we move forward and discover these, is a way of either merging compounds or splitting compounds. A merge would be straight-forward, as all aliases and reactions would be merged, but a split is a little more complex because one must make sure that the correct InChI strings and synonyms go with the correct compound.

In addition to this, all reactions in the database, and in the models, which use these compounds must be updated. If a compound is split into two compounds, then the care must be taken to ask whether the new reactions that emerge actually exist.