SJ5
Summary
| Name: | (3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid |
| Formula: | C6 H11 N O4 |
| Formal charge: | 0 |
| Formula weight: | 161.156 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid |
| OpenEye OEToolkits | 2.0.6 | (3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)piperidine-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1NCC(C(O)=O)C(C1O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H11NO4/c8-4-2-7-1-3(5(4)9)6(10)11/h3-5,7-9H,1-2H2,(H,10,11)/t3-,4+,5+/m0/s1 |
| InChIKey | InChI | 1.03 | SSMLJUWXZFXWSF-VPENINKCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1CNC[C@@H]([C@H]1O)C(O)=O |
| SMILES | CACTVS | 3.385 | O[CH]1CNC[CH]([CH]1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1[C@@H]([C@H]([C@@H](CN1)O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1C(C(C(CN1)O)O)C(=O)O |
