SEQ2FUN

FURNA

PDB CCD ID: RBF
Number of entries in FURNA: 2
Chemical formula: C17 H20 N4 O6
InChI: InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1
InChIKey: AUNGANRZJHBGPY-SCRDCRAPSA-N
SMILES: Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO)c2cc1C;
Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O;
Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O;
Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C;
N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)CO
Name:RIBOFLAVIN;
RIBOFLAVINE;
VITAMIN B2
ChEMBL: CHEMBL1534
DrugBank: DB00140
ZINC: ZINC000002036848

Reference:
  • Chengxin Zhang, Lydia Freddolino (2024) "FURNA: a database for function annotations of RNA structures," PLOS Biology 22(7): e3002476.