ALS
Summary
| Name: | (3S)-3-(sulfooxy)-L-serine |
| Formula: | C3 H7 N O7 S |
| Formal charge: | 0 |
| Formula weight: | 201.155 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-3-(sulfooxy)-L-serine |
| OpenEye OEToolkits | 1.7.6 | (2S,3S)-2-azanyl-3-oxidanyl-3-sulfooxy-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(C(C(OS(O)(=O)=O)O)N)(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C3H7NO7S/c4-1(2(5)6)3(7)11-12(8,9)10/h1,3,7H,4H2,(H,5,6)(H,8,9,10)/t1-,3+/m1/s1 |
| InChIKey | InChI | 1.03 | MNJOBAOHZQQXIK-GPKNORDASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H]([C@@H](O)O[S](O)(=O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH]([CH](O)O[S](O)(=O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [C@H]([C@@H](O)OS(=O)(=O)O)(C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(C(O)OS(=O)(=O)O)(C(=O)O)N |
