| PDB CCD ID: | Z3D |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C13 H25 N O9 |
| InChI: | InChI=1S/C13H25NO9/c14-5-1-4(2-15)12(10(20)7(5)17)23-13-11(21)9(19)8(18)6(3-16)22-13/h4-13,15-21H,1-3,14H2/t4-,5+,6-,7+,8-,9+,10-,11-,12-,13-/m1/s1 |
| InChIKey: | IURYEWAUXBUYIM-BTADNHFESA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | N[CH]1C[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O | | ACDLabs 12.01 | OCC1CC(N)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O | | OpenEye OEToolkits 2.0.7 | C1C(C(C(C(C1N)O)O)OC2C(C(C(C(O2)CO)O)O)O)CO | | OpenEye OEToolkits 2.0.7 | C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO | | CACTVS 3.385 | N[C@H]1C[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |
|
| Name: | (1R,2R,3S,4S,6R)-4-amino-2,3-dihydroxy-6-(hydroxymethyl)cyclohexyl alpha-D-glucopyranoside |
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