BioLiP

PDB

BioLiP

PDB CCD ID:

EGA

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-DWOUCZDBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CCOC1C(C(C(C(O1)CO)O)O)O
OpenEye OEToolkits 1.7.6	CCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
CACTVS 3.385	CCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01	O(CC)C1OC(C(O)C(O)C1O)CO
CACTVS 3.385	CCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

Name:

ethyl beta-D-galactopyranoside;
ethyl beta-D-galactoside;
ethyl D-galactoside;
ethyl galactoside

ChEMBL:

CHEMBL4066285

ZINC:

ZINC000013544857

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).