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FURNA

PDB CCD ID: 1RP
Number of entries in FURNA: 1
Chemical formula: C10 H13 F N3 O9 P
InChI: InChI=1S/C10H13FN3O9P/c11-4-1-14(9(18)5(13-4)8(12)17)10-7(16)6(15)3(23-10)2-22-24(19,20)21/h1,3,6-7,10,15-16H,2H2,(H2,12,17)(H2,19,20,21)/t3-,6-,7-,10-/m1/s1
InChIKey: RWCWUNIDADUVEZ-KAFVXXCXSA-N
SMILES: NC(=O)C1=NC(=CN([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)C1=O)F;
O=P(O)(O)OCC2OC(N1C(=O)C(=NC(F)=C1)C(=O)N)C(O)C2O;
C1=C(N=C(C(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O)C(=O)N)F;
C1=C(N=C(C(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N)F;
NC(=O)C1=NC(=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C1=O)F
Name:6-fluoro-3-oxo-4-(5-O-phosphono-beta-D-ribofuranosyl)-3,4-dihydropyrazine-2-carboxamide
ZINC: ZINC000098208017
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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