| PDB CCD ID: | 56I |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C7 H15 N O7 S |
| InChI: | InChI=1S/C7H15NO7S/c9-2-3-4(8-16(13,14)15)1-5(10)7(12)6(3)11/h3-12H,1-2H2,(H,13,14,15)/t3-,4+,5-,6+,7+/m0/s1 |
| InChIKey: | QOECHHYORUOADE-PJEQPVAWSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | C1C(C(C(C(C1O)O)O)CO)NS(=O)(=O)O | | CACTVS 3.385 | OC[CH]1[CH](O)[CH](O)[CH](O)C[CH]1N[S](O)(=O)=O | | OpenEye OEToolkits 2.0.7 | C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)NS(=O)(=O)O | | CACTVS 3.385 | OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)C[C@H]1N[S](O)(=O)=O |
|
| Name: | [(1R,2R,3R,4R,5S)-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclohexyl]sulfamic acid |
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