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FURNA

PDB CCD ID: EZP
Number of entries in FURNA: 2
Chemical formula: C15 H19 N5 O5
InChI: InChI=1S/C15H19N5O5/c16-12(5-10-6-17-8-18-10)15(23)19-13(7-21)14(22)9-1-3-11(4-2-9)20(24)25/h1-4,6,8,12-14,21-22H,5,7,16H2,(H,17,18)(H,19,23)/t12-,13-,14-/m1/s1
InChIKey: MMDMFLDVXHCRMV-MGPQQGTHSA-N
SMILES: c1cc(ccc1C(C(CO)NC(=O)C(Cc2c[nH]cn2)N)O)N(=O)=O;
N[C@H](Cc1c[nH]cn1)C(=O)N[C@H](CO)[C@H](O)c2ccc(cc2)[N](=O)=O;
c1cc(N(=O)=O)ccc1C(O)C(NC(C(Cc2cncn2)N)=O)CO;
c1cc(ccc1[C@H]([C@@H](CO)NC(=O)[C@@H](Cc2c[nH]cn2)N)O)N(=O)=O;
N[CH](Cc1c[nH]cn1)C(=O)N[CH](CO)[CH](O)c2ccc(cc2)[N](=O)=O
Name:N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-D-histidinamide
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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