| PDB CCD ID: | 7CY |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C11 H15 N5 O3 |
| InChI: | InChI=1S/C11H15N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h3-6,8-9,17-19H,1-2H2,(H2,12,13,14)/t5-,6-,8-,9+/m1/s1 |
| InChIKey: | UGRNVLGKAGREKS-GCXDCGAKSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | n1cnc2c(c1N)ncn2C3C(O)C(C(C3)CO)O | | CACTVS 3.385 | Nc1ncnc2n(cnc12)[CH]3C[CH](CO)[CH](O)[CH]3O | | OpenEye OEToolkits 2.0.6 | c1nc(c2c(n1)n(cn2)C3CC(C(C3O)O)CO)N | | OpenEye OEToolkits 2.0.6 | c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)CO)N | | CACTVS 3.385 | Nc1ncnc2n(cnc12)[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O |
|
| Name: | (1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol;
Aristeromycin |
| ChEMBL: | CHEMBL49935 |
| ZINC: | ZINC000003832327 |
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