BioLiP

PDB

BioLiP

PDB CCD ID:

OGT

Number of entries in BioLiP:

Chemical formula:

C8 H16 O6

InChI:

InChI=1S/C8H16O6/c1-2-13-8-7(12)6(11)5(10)4(3-9)14-8/h4-12H,2-3H2,1H3

InChIKey:

WYUFTYLVLQZQNH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CCOC1C(C(C(C(O1)CO)O)O)O
CACTVS 2.87	CCOC1OC(CO)C(O)C(O)C1O
OpenEye OEToolkits 1.5.0	CCO[C@@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O

Name:

2-ETHOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL

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).