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| Ligand ID | 7D5 |
| InChI | InChI=1S/C10H14N5O6P/c11-8-7-9(13-3-12-8)15(4-14-7)10-5(1-16)6(21-10)2-20-22(17,18)19/h3-6,10,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6-,10-/m1/s1 |
| InChIKey | YHDKOVKCJODYNM-OXOINMOOSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | c1nc(c2c(n1)n(cn2)C3C(C(O3)COP(=O)(O)O)CO)N | | OpenEye OEToolkits 2.0.6 | c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](O3)COP(=O)(O)O)CO)N | | CACTVS 3.385 | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH]3CO | | CACTVS 3.385 | Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@H]3CO | | ACDLabs 12.01 | c1nc(c2c(n1)n(cn2)C3C(C(COP(O)(=O)O)O3)CO)N |
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| Formula | C10 H14 N5 O6 P |
| Name | [(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl dihydrogen phosphate;
oxetanocin A monophosphate |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000003917949
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| PDB chain | 5tk8 Chain A Residue 201
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