| PDB CCD ID: | MIF |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C8 H12 N2 O6 S |
| InChI: | InChI=1S/C8H12N2O6S/c9-7-10-6(15)8(17-7)5(14)4(13)3(12)2(1-11)16-8/h2-5,11-14H,1H2,(H2,9,10,15)/t2-,3-,4+,5-,8-/m1/s1 |
| InChIKey: | UADFNVXVJZELQM-UXDJRKLDSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | OC[CH]1O[C]2(SC(=N)NC2=O)[CH](O)[CH](O)[CH]1O | | CACTVS 3.385 | OC[C@H]1O[C@@]2(SC(=N)NC2=O)[C@H](O)[C@@H](O)[C@@H]1O | | ACDLabs 12.01 | O=C2NC(=[N@H])SC21OC(C(O)C(O)C1O)CO | | OpenEye OEToolkits 1.7.6 | C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)NC(=N)S2)O)O)O)O | | OpenEye OEToolkits 1.7.6 | C(C1C(C(C(C2(O1)C(=O)NC(=N)S2)O)O)O)O |
|
| Name: | (5R,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-2-imino-6-oxa-1-thia-3-azaspiro[4.5]decan-4-one |
| ChEMBL: | CHEMBL3310890 |
| ZINC: | ZINC000098209179 |
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