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FURNA

PDB CCD ID: SCM
Number of entries in FURNA: 18
Chemical formula: C14 H24 N2 O7
InChI: InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1
InChIKey: UNFWWIHTNXNPBV-WXKVUWSESA-N
SMILES: CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O;
CC1CC(=O)C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC)O)O;
C[C@@H]1CC(=O)[C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O;
CN[CH]1[CH](O)[CH](NC)[CH]2O[C]3(O)[CH](O[CH](C)CC3=O)O[CH]2[CH]1O;
O=C1C2(OC3C(NC)C(O)C(NC)C(O)C3OC2OC(C1)C)O
Name:SPECTINOMYCIN;
ACTINOSPECTACIN;
ESPECTINOMICINA;
CHX-3101
ChEMBL: CHEMBL1167
DrugBank: DB00919
ZINC: ZINC000053006806
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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