| PDB CCD ID: | ARJ |
| Number of entries in BioLiP: | 6 |
| Chemical formula: | C11 H13 N5 O3 |
| InChI: | InChI=1S/C11H13N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h3-6,9,17,19H,1-2H2,(H2,12,13,14)/t5-,6-,9+/m1/s1 |
| InChIKey: | CWNCBQJCRSRXGI-KCRUCZTKSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | Nc1ncnc2n(cnc12)[C@@H]3C[C@H](CO)C(=O)[C@H]3O | | ACDLabs 10.04 | O=C3C(O)C(n1c2ncnc(c2nc1)N)CC3CO | | OpenEye OEToolkits 1.5.0 | c1nc(c2c(n1)n(cn2)C3CC(C(=O)C3O)CO)N | | CACTVS 3.341 | Nc1ncnc2n(cnc12)[CH]3C[CH](CO)C(=O)[CH]3O | | OpenEye OEToolkits 1.5.0 | c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H](C(=O)[C@H]3O)CO)N |
|
| Name: | (2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentanone;
3'-keto-aristeromycin |
| ZINC: | ZINC000005941131 |
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