| PDB CCD ID: | W9S |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C7 H15 N O5 |
| InChI: | InChI=1S/C7H15NO5/c8-3-1-7(13,2-9)6(12)5(11)4(3)10/h3-6,9-13H,1-2,8H2/t3-,4-,5+,6-,7-/m0/s1 |
| InChIKey: | VDLOJRUTNRJDJO-ZYNSJIGGSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)N | | CACTVS 3.385 | N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O | | OpenEye OEToolkits 2.0.7 | C1C(C(C(C(C1(CO)O)O)O)O)N | | CACTVS 3.385 | N[CH]1C[C](O)(CO)[CH](O)[CH](O)[CH]1O | | ACDLabs 12.01 | NC1C(C(C(C(CO)(C1)O)O)O)O |
|
| Name: | (1S,2S,3R,4S,5S)-5-amino-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol |
| ChEMBL: | CHEMBL222396 |
| ZINC: | ZINC000005157081 |
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