EVA
Summary
| Name: | (2S,3R,4S,5R)-3,4,5-trihydroxy-6-oxopiperidine-2-carboxylic acid |
| Formula: | C6 H9 N O6 |
| Formal charge: | 0 |
| Formula weight: | 191.139 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | (2S,3R,4S,5R)-3,4,5-trihydroxy-6-oxopiperidine-2-carboxylic acid |
| OpenEye OEToolkits | 1.6.1 | (2S,3R,4S,5R)-3,4,5-trihydroxy-6-oxo-piperidine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=C(O)C1NC(=O)C(O)C(O)C1O |
| SMILES_CANONICAL | CACTVS | 3.352 | O[C@H]1[C@H](O)[C@H](NC(=O)[C@@H]1O)C(O)=O |
| SMILES | CACTVS | 3.352 | O[CH]1[CH](O)[CH](NC(=O)[CH]1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [C@@H]1([C@@H]([C@H](NC(=O)[C@@H]1O)C(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C1(C(C(NC(=O)C1O)C(=O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H9NO6/c8-2-1(6(12)13)7-5(11)4(10)3(2)9/h1-4,8-10H,(H,7,11)(H,12,13)/t1-,2+,3-,4+/m0/s1 |
| InChIKey | InChI | 1.03 | YEWOHTVJCCDCCS-NTAGLIMJSA-N |
