| PDB CCD ID: | YTW |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C7 H13 N O7 S |
| InChI: | InChI=1S/C7H13NO7S/c9-1-2-4(10)6(12)5(11)3-7(2)15-16(13,14)8-3/h2-12H,1H2/t2-,3-,4+,5+,6+,7+/m1/s1 |
| InChIKey: | LDXSPHJOJCEWFB-MREPKMFUSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H]2[C@H]1OS(=O)(=O)N2)O)O)O)O | | CACTVS 3.385 | OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2N[S](=O)(=O)O[CH]12 | | CACTVS 3.385 | OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H]2N[S](=O)(=O)O[C@@H]12 | | OpenEye OEToolkits 2.0.6 | C(C1C(C(C(C2C1OS(=O)(=O)N2)O)O)O)O |
|
| Name: | (3~{a}~{R},4~{S},5~{S},6~{S},7~{R},7~{a}~{S})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{H}-benzo[d][1,2,3]oxathiazole-4,5,6-triol |
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