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FURNA

PDB CCD ID: EDE
Number of entries in FURNA: 3
Chemical formula: C34 H59 N11 O10
InChI: InChI=1S/C34H59N11O10/c35-17-25(45-33(53)27(48)18-42-29(49)15-23(37)20-8-10-21(46)11-9-20)32(52)44-24(34(54)55)6-3-5-22(36)26(47)16-30(50)43-19-31(51)41-14-4-13-40-12-2-1-7-28(38)39/h8-11,22-27,40,46-48H,1-7,12-19,35-37H2,(H3,38,39)(H,41,51)(H,42,49)(H,43,50)(H,44,52)(H,45,53)(H,54,55)/t22-,23-,24+,25-,26+,27-/m0/s1
InChIKey: WEPSNLBXXUYQJF-LQXCWRENSA-N
SMILES: O=C(NCCCNCCCCC(=[N@H])N)CNC(=O)CC(O)C(N)CCCC(C(=O)O)NC(=O)C(NC(=O)C(O)CNC(=O)CC(N)c1ccc(O)cc1)CN;
NC[CH](NC(=O)[CH](O)CNC(=O)C[CH](N)c1ccc(O)cc1)C(=O)N[CH](CCC[CH](N)[CH](O)CC(=O)NCC(=O)NCCCNCCCCC(N)=N)C(O)=O;
[H]N=C(CCCCNCCCNC(=O)CNC(=O)CC(C(CCCC(C(=O)O)NC(=O)C(CN)NC(=O)C(CNC(=O)CC(c1ccc(cc1)O)N)O)N)O)N;
[H]/N=C(\CCCCNCCCNC(=O)CNC(=O)C[C@H]([C@H](CCC[C@H](C(=O)O)NC(=O)[C@H](CN)NC(=O)[C@H](CNC(=O)C[C@@H](c1ccc(cc1)O)N)O)N)O)/N;
NC[C@H](NC(=O)[C@@H](O)CNC(=O)C[C@H](N)c1ccc(O)cc1)C(=O)N[C@H](CCC[C@H](N)[C@H](O)CC(=O)NCC(=O)NCCCNCCCCC(N)=N)C(O)=O
Name:EDEINE B
ZINC: ZINC000098208823
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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