1CO
Summary
| Name: | (3S)-3-hydroxy-3-methyl-5-sulfanylpentanoic acid |
| Formula: | C6 H12 O3 S |
| Formal charge: | 0 |
| Formula weight: | 164.223 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-3-hydroxy-3-methyl-5-sulfanylpentanoic acid |
| OpenEye OEToolkits | 1.7.6 | (3S)-3-methyl-3-oxidanyl-5-sulfanyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CC(O)(C)CCS |
| InChI | InChI | 1.03 | InChI=1S/C6H12O3S/c1-6(9,2-3-10)4-5(7)8/h9-10H,2-4H2,1H3,(H,7,8)/t6-/m1/s1 |
| InChIKey | InChI | 1.03 | MCHPXVGJHBKMNR-ZCFIWIBFSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@@](O)(CCS)CC(O)=O |
| SMILES | CACTVS | 3.370 | C[C](O)(CCS)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@](CCS)(CC(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(CCS)(CC(=O)O)O |
