| PDB CCD ID: | TOB |
| Number of entries in FURNA: | 1 |
| Chemical formula: | C6 H16 N2 O2 |
| InChI: | InChI=1S/C6H14N2O2/c7-3-1-4(8)6(10)5(9)2-3/h3-6,9-10H,1-2,7-8H2/p+2/t3-,4+,5-,6-/m0/s1 |
| InChIKey: | QOLDZWBHLDQIJR-FSIIMWSLSA-P |
| SMILES: | C1C(CC(C(C1[NH3+])O)O)[NH3+]; [NH3+][CH]1C[CH]([NH3+])[CH](O)[CH](O)C1; [NH3+][C@H]1C[C@@H]([NH3+])[C@H](O)[C@@H](O)C1; C1[C@@H](C[C@@H]([C@H]([C@@H]1[NH3+])O)O)[NH3+]; OC1CC([NH3+])CC([NH3+])C1O |
| Name: | 1,3-DIAMINO-5,6-DIHYDROXYCYCLOHEXANE |
Reference: