| PDB CCD ID: | 9VH |
| Number of entries in BioLiP: | 8 |
| Chemical formula: | C6 H13 N O5 S |
| InChI: | InChI=1S/C6H13NO5S/c8-5-2-7-1-4(6(5)9)3-13(10,11)12/h4-9H,1-3H2,(H,10,11,12)/t4-,5-,6-/m1/s1 |
| InChIKey: | RCSXCFCCYYFFCY-HSUXUTPPSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | O[CH]1CNC[CH](C[S](O)(=O)=O)[CH]1O | | OpenEye OEToolkits 2.0.6 | C1C(C(C(CN1)O)O)CS(=O)(=O)O | | OpenEye OEToolkits 2.0.6 | C1[C@@H]([C@H]([C@@H](CN1)O)O)CS(=O)(=O)O | | CACTVS 3.385 | O[C@@H]1CNC[C@H](C[S](O)(=O)=O)[C@H]1O |
|
| Name: | [(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)piperidin-3-yl]methanesulfonic acid |
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