XYH
Summary
| Name: | XYLAROHYDROXAMATE |
| Formula: | C5 H8 N O7 |
| Formal charge: | -1 |
| Formula weight: | 194.12 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R,3S,4S)-2,3,4-trihydroxy-5-(hydroxyamino)-5-oxopentanoate (non-preferred name) |
| OpenEye OEToolkits | 1.5.0 | (2R,3S,4S)-2,3,4-trihydroxy-5-(hydroxyamino)-5-oxo-pentanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NO)C(O)C(O)C(O)C([O-])=O |
| SMILES_CANONICAL | CACTVS | 3.341 | ONC(=O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O |
| SMILES | CACTVS | 3.341 | ONC(=O)[CH](O)[CH](O)[CH](O)C([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [C@H]([C@@H](C(=O)NO)O)([C@H](C(=O)[O-])O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C(=O)NO)O)(C(C(=O)[O-])O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H9NO7/c7-1(3(9)5(11)12)2(8)4(10)6-13/h1-3,7-9,13H,(H,6,10)(H,11,12)/p-1/t1-,2-,3+/m0/s1 |
| InChIKey | InChI | 1.03 | DMGBHBFPSRKPBV-XZIMBLGRSA-M |
