A1LUD
Summary
| Name: | S-METHYL-METHIONINE |
| Synonyms: | (3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)-dimethyl-sulfanium |
| Formula: | C6 H14 N O2 S |
| Formal charge: | 1 |
| Formula weight: | 164.246 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)-dimethyl-sulfanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H13NO2S/c1-10(2)4-3-5(7)6(8)9/h5H,3-4,7H2,1-2H3/p+1/t5-/m0/s1 |
| InChIKey | InChI | 1.06 | YDBYJHTYSHBBAU-YFKPBYRVSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S+](C)CC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | C[S+](C)CC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[S+](C)CCC(C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C[S+](C)CCC(C(=O)O)N |
