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FURNA

PDB CCD ID: MPD
Number of entries in FURNA: 222
Chemical formula: C6 H14 O2
InChI: InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m0/s1
InChIKey: SVTBMSDMJJWYQN-YFKPBYRVSA-N
SMILES: C[C@H](O)CC(C)(C)O;
CC(CC(C)(C)O)O;
C[C@@H](CC(C)(C)O)O;
C[CH](O)CC(C)(C)O;
OC(C)CC(O)(C)C
Name:(4S)-2-METHYL-2,4-PENTANEDIOL
DrugBank: DB03564
ZINC: ZINC000000388075
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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