BioLiP

PDB

BioLiP

PDB CCD ID:

BW3

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/t4-,5-,6+,7-,8+/m1/s1

InChIKey:

WYUFTYLVLQZQNH-CBQIKETKSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
OpenEye OEToolkits 2.0.7	CCOC1C(C(C(C(O1)CO)O)O)O
CACTVS 3.385	CCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
CACTVS 3.385	CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Name:

(2~{S},3~{R},4~{S},5~{S},6~{R})-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol;
Ethyl alpha-D-glucopyranoside

ChEMBL:

CHEMBL2059297

ZINC:

ZINC000013518823

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).