BioLiP

PDB

BioLiP

PDB CCD ID:

D6K

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 2.0.6	CC1CC(OC(O1)(C)C)O
CACTVS 3.385	C[C@@H]1C[C@@H](O)OC(C)(C)O1
OpenEye OEToolkits 2.0.6	C[C@@H]1C[C@H](OC(O1)(C)C)O
CACTVS 3.385	C[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, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

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).