Non-natural sidechain SwissSidechain - CIR
3D view
| Name | Citrulline |
| Molecular Weight [g/mol] | 175.19 |
| logP | -3.19 |
| Sidechain logP | -0.14 (predicted) |
| Volume [Å3 ] | 198.96 |
| Sidechain Volume [Å3 ] | 113.30 |
| pKa | 2.27 / 9.23 (predicted) |
| SMILES | OC(=O)[C@H](CCC[NH]=[C](=O)=[NH2])[NH3] |
| D-amino acid code | DCIR |
| PDB References: | |
| L-amino acid | PDB | Ligand |
| D-amino acid | Not available |
| PubChem | L: 9750 | D: 637599 |
| CAS number | L: 372-75-8 | D: 13594-51-9 |
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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