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FURNA

PDB CCD ID: 2TB
Number of entries in FURNA: 1
Chemical formula: C6 H16 N2 O3
InChI: InChI=1S/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/p+2/t2-,3+,4+,5-,6-
InChIKey: DTFAJAKTSMLKAT-JDCCYXBGSA-P
SMILES: [NH3+][C@@H]1C[C@H]([NH3+])[C@@H](O)[C@H](O)[C@H]1O;
C1C(C(C(C(C1[NH3+])O)O)O)[NH3+];
C1[C@H]([C@@H](C([C@@H]([C@H]1[NH3+])O)O)O)[NH3+];
[NH3+][CH]1C[CH]([NH3+])[CH](O)[CH](O)[CH]1O;
OC1C([NH3+])CC(C(O)C1O)[NH3+]
Name:1,3-DIAMINO-4,5,6-TRIHYDROXY-CYCLOHEXANE
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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