| PDB CCD ID: | W9G |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C17 H35 N O6 |
| InChI: | InChI=1S/C17H35NO6/c1-24-10-8-6-4-2-3-5-7-9-18-13-11-17(23,12-19)16(22)15(21)14(13)20/h13-16,18-23H,2-12H2,1H3/t13-,14-,15+,16-,17-/m0/s1 |
| InChIKey: | OJZIBLPPMMRULX-KSWRQPAISA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | COCCCCCCCCCN[C@H]1C[C@@]([C@H]([C@@H]([C@H]1O)O)O)(CO)O | | OpenEye OEToolkits 2.0.7 | COCCCCCCCCCNC1CC(C(C(C1O)O)O)(CO)O | | ACDLabs 12.01 | N(C1CC(C(C(C1O)O)O)(O)CO)CCCCCCCCCOC | | CACTVS 3.385 | COCCCCCCCCCN[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O | | CACTVS 3.385 | COCCCCCCCCCN[CH]1C[C](O)(CO)[CH](O)[CH](O)[CH]1O |
|
| Name: | (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(9-methoxynonyl)amino]cyclohexane-1,2,3,4-tetrol |
| ChEMBL: | CHEMBL5186186 |
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