| PDB CCD ID: | 9K9 |
| Number of entries in BioLiP: | 8 |
| Chemical formula: | C10 H12 N5 O7 P |
| InChI: | InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-6-5(3(1-16)20-9)21-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1 |
| InChIKey: | UASRYODFRYWBRC-UUOKFMHZSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | NC1=NC(=O)c2ncn([C@@H]3O[C@H](CO)[C@H]4O[P](O)(=O)O[C@@H]34)c2N1 | | ACDLabs 12.01 | O=C1c2c(NC(=N1)N)n(cn2)C4C3OP(OC3C(O4)CO)(=O)O | | CACTVS 3.385 | NC1=NC(=O)c2ncn([CH]3O[CH](CO)[CH]4O[P](O)(=O)O[CH]34)c2N1 | | OpenEye OEToolkits 2.0.6 | c1nc2c(n1C3C4C(C(O3)CO)OP(=O)(O4)O)NC(=NC2=O)N | | OpenEye OEToolkits 2.0.6 | c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OP(=O)(O4)O)NC(=NC2=O)N |
|
| Name: | 2-amino-9-[(2S,3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxotetrahydro-2H-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]-3,9-dihydro-6H-purin-6-one |
| ZINC: | ZINC000004097050 |
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