Showing Metabocard for S-methyl-L-methionine (BASm0003317)
| Common Name | S-methyl-l-methionine |
|---|---|
| Description | true |
| Structure | |
| Molecular Formula | C6H14NO2S |
| Average Mass | 164.24600 |
| Monoisotopic Mass | 164.07452 |
| IUPAC Name | (3-amino-3-carboxypropyl)dimethylsulfanium |
| Traditional Name | S-methylmethionine |
| CAS Registry Number | 4727-40-6 |
| SMILES | C[S+](C)CC[C@H]([NH3+])C(=O)[O-] |
| InChI Identifier | InChI=1S/C6H13NO2S/c1-10(2)4-3-5(7)6(8)9/h5H,3-4,7H2,1-2H3/p+1/t5-/m0/s1 |
| InChI Key | YDBYJHTYSHBBAU-YFKPBYRVSA-O |
| CHEBI ID | CHEBI:58252 |
| MiMeDB ID | MMDBc0032967 |
| State | Solid |
| Water Solubility | 8.12e+00 g/l |
| logP | -1.27 |
| logS | -1.39 |
| pKa (Strongest Acidic) | 2.24 |
| pKa (Strongest Basic) | 9.41 |
| Hydrogen Acceptor Count | 3 |
| Hydrogen Donor Count | 2 |
| Polar Surface Area | 63.32 Ų |
| Rotatable Bond Count | 4 |
| Physiological Charge | 1 |
| Formal Charge | 1 |
| Refractivity | 41.10 m³·mol⁻¹ |
| Polarizability | 17.68 |