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BioLiP Library

PDB CCD ID: D6K
Number of entries in BioLiP: 4
Chemical formula: C7 H14 O3
InChI: InChI=1S/C7H14O3/c1-5-4-6(8)10-7(2,3)9-5/h5-6,8H,4H2,1-3H3/t5-,6+/m1/s1
InChIKey: YZGBOJCVSXYSKT-RITPCOANSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC1CC(OC(O1)(C)C)O
CACTVS 3.385C[C@@H]1C[C@@H](O)OC(C)(C)O1
OpenEye OEToolkits 2.0.6C[C@@H]1C[C@H](OC(O1)(C)C)O
CACTVS 3.385C[CH]1C[CH](O)OC(C)(C)O1
Name:(4~{S},6~{R})-2,2,6-trimethyl-1,3-dioxan-4-ol
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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