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FURNA

PDB CCD ID: MTA
Number of entries in FURNA: 9
Chemical formula: C11 H15 N5 O3 S
InChI: InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
InChIKey: WUUGFSXJNOTRMR-IOSLPCCCSA-N
SMILES: CSCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O;
CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23;
n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CSC)N;
CSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;
CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
Name:5'-DEOXY-5'-METHYLTHIOADENOSINE
ChEMBL: CHEMBL277041
DrugBank: DB02282
ZINC: ZINC000004228245

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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