| PDB CCD ID: | BJ1 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C10 H20 O10 S2 |
| InChI: | InChI=1S/C10H20O10S2/c11-1-5(13)10(20-22(17,18)19)7(15)4-21-3-6(14)9(16)8(21)2-12/h5-16H,1-4H2/t5-,6+,7+,8+,9-,10+,21-/m0/s1 |
| InChIKey: | RJAPJYRCCYZVIU-BZCOVLGNSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.352 | OC[C@H](O)[C@@H](O[S]([O-])(=O)=O)[C@H](O)C[S@+]1C[C@@H](O)[C@H](O)[C@H]1CO | | OpenEye OEToolkits 1.7.0 | C1C(C(C([S+]1CC(C(C(CO)O)OS(=O)(=O)[O-])O)CO)O)O | | OpenEye OEToolkits 1.7.0 | C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@@H]([C@H](CO)O)OS(=O)(=O)[O-])O)CO)O)O | | CACTVS 3.352 | OC[CH](O)[CH](O[S]([O-])(=O)=O)[CH](O)C[S+]1C[CH](O)[CH](O)[CH]1CO |
|
| Name: | (1R,2S)-1-[(1S)-1,2-dihydroxyethyl]-3-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-2-hydroxypropyl sulfate |
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