Non-natural sidechain SwissSidechain - ESC
3D view
| Name | Ethionine |
| Molecular Weight [g/mol] | 164.25 |
| logP | -1.99 (predicted) |
| Sidechain logP | 1.95 |
| Volume [Å3 ] | 196.56 |
| Sidechain Volume [Å3 ] | 110.90 |
| pKa | 2.61 / 9.5 (predicted) |
| SMILES | CCSCC[C@@H](C(=O)O)[NH3] |
| D-amino acid code | DESC |
| PDB References: | |
| L-amino acid | PDB | Ligand |
| D-amino acid | Not available |
| PubChem | L: 25674 | D: 92124 |
| CAS number | L: 13073-35-3 | D: 535-32-0 |
Download:
| Files | L-amino acid | D-amino acid | |
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| MOL2 | |
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| 2D structures (PNG) | |
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| backbone-dependent rotamers | |
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| backbone-independent rotamers | |
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| Gromacs topology file | |
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| CHARMM topology file | |
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