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FURNA

PDB CCD ID: V5Z
Number of entries in FURNA: 12
Chemical formula: C22 H25 N4 O5
InChI: InChI=1S/C22H24N4O5/c1-26(2,3)16-8-6-15(7-9-16)25-20(13-23-29)24-17(22(25)28)10-14-11-18(30-4)21(27)19(12-14)31-5/h6-13H,1-5H3,(H-,23,24,27,28,29)/p+1
InChIKey: GYWNIEJGWAVLAZ-UHFFFAOYSA-O
SMILES: C[N+](C)(C)c1ccc(cc1)N2C(=NC(=Cc3cc(c(c(c3)OC)O)OC)C2=O)C=NO;
COc1cc(cc(OC)c1O)C=C2N=C(C=NO)N(C2=O)c3ccc(cc3)[N+](C)(C)C;
COc1cc(cc(OC)c1O)\C=C\2N=C(\C=N/O)N(C\2=O)c3ccc(cc3)[N+](C)(C)C;
C[N+](C)(C)c1ccc(cc1)N2C(=N/C(=C\c3cc(c(c(c3)OC)O)OC)/C2=O)/C=N\O
Name:DMHBO+;
[4-[(4Z)-4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methylidene]-2-[(Z)-hydroxyiminomethyl]-5-oxidanylidene-imidazol-1-yl]phenyl]-trimethyl-azanium
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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