BioLiP

PDB

BioLiP

PDB CCD ID:

BQY

Number of entries in BioLiP:

Chemical formula:

C13 H18 O7

InChI:

InChI=1S/C13H18O7/c1-18-7-4-2-3-5-8(7)19-13-12(17)11(16)10(15)9(6-14)20-13/h2-5,9-17H,6H2,1H3/t9-,10+,11+,12-,13-/m1/s1

InChIKey:

WBZPEZUBVIAKKS-KSSYENDESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	COc1ccccc1OC2C(C(C(C(O2)CO)O)O)O
CACTVS 3.385	COc1ccccc1O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O
OpenEye OEToolkits 2.0.6	COc1ccccc1O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O
CACTVS 3.385	COc1ccccc1O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O
ACDLabs 12.01	c2cc(c(OC1C(O)C(O)C(C(CO)O1)O)cc2)OC

Name:

2-methoxyphenyl beta-D-galactopyranoside;
o-methoxyphenyl beta-galactoside;
OMPG;
2-methoxyphenyl beta-D-galactoside;
2-methoxyphenyl D-galactoside;
2-methoxyphenyl galactoside

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).