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FURNA

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:
  • Chengxin Zhang, P. Lydia Freddolino (2023) FURNA: a database for function annotations of RNA structures, bioRxiv 2023.12.19.572314.

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