David Weininger, “SMILES: Chemical-language & Information-system”, 1988 was the topic of an earlier blog post.
Here I present: “Embden Meyerhof Pathway in SMILES Notation.
INTRODUCTION.
The Embden-Meyerhof pathway is defined as the glycolytic pathway utilized by organisms, including humans and yeast, which involves two (2) phases: the investment phase requiring energy input and the payoff phase yielding ATP, ultimately converting glucose into ethanol while generating a net gain of ATP.
ATOP is the biochemical pathway and molecular-evolutionary tree.
BELOW is the SMILES notation of the eight (8) molecules from glucose to ethanol.
| A | Glucose | C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)O |
| B | Glucose-6-Phosphate | C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)OP(=O)(O)O |
| C | 6-P-Gluconic Acid | C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O |
| D | 2-Keto-3-Deoxy-6-Gluconic Acid | C([C@@H]([C@@H](COP(=O)(O)O)O)O)C(=O)C(=O)O |
| E | Glyceraldehyde-3-Phosphate | C([C@H](C=O)O)OP(=O)(O)O |
| F | Pyruvic Acid | CC(=O)C(=O)O |
| G | Acetaldehyde | CC=O |
| H | Ethanol | CCO |
