| PDB CCD ID: | 2TB |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C6 H16 N2 O3 |
| InChI: | InChI=1S/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/p+2/t2-,3+,4+,5-,6- |
| InChIKey: | DTFAJAKTSMLKAT-JDCCYXBGSA-P |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | [NH3+][C@@H]1C[C@H]([NH3+])[C@@H](O)[C@H](O)[C@H]1O | | OpenEye OEToolkits 1.5.0 | C1C(C(C(C(C1[NH3+])O)O)O)[NH3+] | | OpenEye OEToolkits 1.5.0 | C1[C@H]([C@@H](C([C@@H]([C@H]1[NH3+])O)O)O)[NH3+] | | CACTVS 3.341 | [NH3+][CH]1C[CH]([NH3+])[CH](O)[CH](O)[CH]1O | | ACDLabs 10.04 | OC1C([NH3+])CC(C(O)C1O)[NH3+] |
|
| Name: | 1,3-DIAMINO-4,5,6-TRIHYDROXY-CYCLOHEXANE |
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