Showing Metabocard for L-methionine (S)-S-oxide (BASm0003701)
| Common Name | L-methionine (s)-s-oxide |
|---|---|
| Description | The (S)-oxido diastereomer of L-methionine S-oxide |
| Structure | |
| Molecular Formula | C5H11NO3S |
| Average Mass | 165.21000 |
| Monoisotopic Mass | 165.04596 |
| IUPAC Name | 2-amino-4-methanesulfinylbutanoic acid |
| Traditional Name | Methionine sulfoxide |
| CAS Registry Number | 62697-73-8 |
| SMILES | C[S@](=O)CC[C@H]([NH3+])C(=O)[O-] |
| InChI Identifier | InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10-/m0/s1 |
| InChI Key | QEFRNWWLZKMPFJ-MFXDVPHUSA-N |
| CHEBI ID | CHEBI:58772 |
| HMDB ID | HMDB02005 |
| MiMeDB ID | MMDBc0031146 |
| State | Solid |
| Water Solubility | 5.40e+01 g/l |
| logP | -2.40 |
| logS | -0.49 |
| pKa (Strongest Acidic) | 1.74 |
| pKa (Strongest Basic) | 9.11 |
| Hydrogen Acceptor Count | 4 |
| Hydrogen Donor Count | 2 |
| Polar Surface Area | 80.39 Ų |
| Rotatable Bond Count | 4 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 39.34 m³·mol⁻¹ |
| Polarizability | 16.04 |