| PDB CCD ID: | CBV |
| Number of entries in FURNA: | 7 |
| Chemical formula: | C9 H13 Br N3 O8 P |
| InChI: | InChI=1S/C9H13BrN3O8P/c10-3-1-13(9(16)12-7(3)11)8-6(15)5(14)4(21-8)2-20-22(17,18)19/h1,4-6,8,14-15H,2H2,(H2,11,12,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1 |
| InChIKey: | KOHPTSGPCYTYFB-UAKXSSHOSA-N |
| SMILES: | NC1=NC(=O)N(C=C1Br)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O; C1=C(C(=NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O)N)Br; C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)Br; NC1=NC(=O)N(C=C1Br)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O; BrC=1C(=NC(=O)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O)N |
| Name: | 5-BROMOCYTIDINE 5'-(DIHYDROGEN PHOSPHATE) |
| ZINC: | ZINC000031490606 |
Reference: