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FURNA

PDB CCD ID: TOB
Number of entries in FURNA: 1
Chemical formula: C6 H16 N2 O2
InChI: InChI=1S/C6H14N2O2/c7-3-1-4(8)6(10)5(9)2-3/h3-6,9-10H,1-2,7-8H2/p+2/t3-,4+,5-,6-/m0/s1
InChIKey: QOLDZWBHLDQIJR-FSIIMWSLSA-P
SMILES: C1C(CC(C(C1[NH3+])O)O)[NH3+];
[NH3+][CH]1C[CH]([NH3+])[CH](O)[CH](O)C1;
[NH3+][C@H]1C[C@@H]([NH3+])[C@H](O)[C@@H](O)C1;
C1[C@@H](C[C@@H]([C@H]([C@@H]1[NH3+])O)O)[NH3+];
OC1CC([NH3+])CC([NH3+])C1O
Name:1,3-DIAMINO-5,6-DIHYDROXYCYCLOHEXANE
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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