| PDB CCD ID: | WC7 |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C12 H14 N O6 P S2 |
| InChI: | InChI=1S/C12H14NO6PS2/c14-8-5-10(19-9(8)6-18-20(15,16)17)13-3-1-7-2-4-22-11(7)12(13)21/h1-4,8-10,14H,5-6H2,(H2,15,16,17)/t8-,9+,10+/m0/s1 |
| InChIKey: | UPLSSFOPUAAIGQ-IVZWLZJFSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1csc2c1C=CN(C2=S)C3CC(C(O3)COP(=O)(O)O)O | | CACTVS 3.385 | O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=Cc3ccsc3C2=S | | ACDLabs 12.01 | C1=Cc3c(C(N1C2OC(C(C2)O)COP(=O)(O)O)=S)scc3 | | OpenEye OEToolkits 2.0.7 | c1csc2c1C=CN(C2=S)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O | | CACTVS 3.385 | O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=Cc3ccsc3C2=S |
|
| Name: | 6-[2-deoxy-5-O-(trihydroxy-lambda~5~-phosphanyl)-beta-D-erythro-pentofuranosyl]thieno[2,3-c]pyridine-7(6H)-thione |
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