Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | OC1C([NH3+])C(O)C(OC1O)CO |
InChI | InChI | 1.02b | InChI=1/C6H13NO5/c7-3-4(9)2(1-8)12-6(11)5(3)10/h2-6,8-11H,1,7H2/p+1/t2-,3+,4-,5-,6+/m1/s1/fC6H14NO5/h7H/q+1 |
InChIKey | InChI | 1.02b | BQCCAEOLPYCBAE-OBIIYFBIDX |
SMILES_CANONICAL | CACTVS | 3.341 | [NH3+][C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]1O |
SMILES | CACTVS | 3.341 | [NH3+][CH]1[CH](O)[CH](O)O[CH](CO)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)[NH3+])O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C(C1C(C(C(C(O1)O)O)[NH3+])O)O |