| PDB CCD ID: | LX5 |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C6 H12 O7 S |
| InChI: | InChI=1S/C6H12O7S/c7-2-3-5(13-14(10,11)12)1-4(8)6(3)9/h3-9H,1-2H2,(H,10,11,12)/t3-,4+,5+,6+/m1/s1 |
| InChIKey: | WLWVVBPJYHXDMI-VANKVMQKSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | OC[CH]1[CH](O)[CH](O)C[CH]1O[S](O)(=O)=O | | CACTVS 3.385 | OC[C@H]1[C@H](O)[C@@H](O)C[C@@H]1O[S](O)(=O)=O | | OpenEye OEToolkits 2.0.7 | C1[C@@H]([C@H]([C@@H]([C@H]1OS(=O)(=O)O)CO)O)O | | OpenEye OEToolkits 2.0.7 | C1C(C(C(C1OS(=O)(=O)O)CO)O)O |
|
| Name: | [(1~{S},2~{S},3~{S},4~{S})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl] hydrogen sulfate |
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