S-Methylmethionine Sufonium
Representations & DB's id
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| ChEBI: | CHEBI:67050 | |
|---|---|---|
| ChEMBL: | CHEMBL2074824 | |
| PubChem: | 10197842 | |
| IUPAC: | (2S)-2-amino-4-dimethylsulfoniobutanoate | |
| Standard InChI: | InChI=1S/C6H13NO2S/c1-10(2)4-3-5(7)6(8)9/h5H,3-4,7H2,1-2H3/t5-/m0/s1 | |
| Standard InChI Key: | YDBYJHTYSHBBAU-YFKPBYRVSA-N | |
| SMILES: | N[C@H](C(=O)[O-])CC[S+](C)C | |
Molecular propeties
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| AlogP: | -1.67 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 0 | |
| Molecular Weight: | 163.07 | |
| Topological polar surface area: | 67.2 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.833 | |
| Number of carbons: | 6 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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