BioLiP

PDB

BioLiP

PDB CCD ID:

56N

Number of entries in BioLiP:

Chemical formula:

C12 H16 O6

InChI:

InChI=1S/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9+,10+,11-,12-/m1/s1

InChIKey:

NEZJDVYDSZTRFS-YBXAARCKSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC[C@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.9.2	c1ccc(cc1)OC2C(C(C(C(O2)CO)O)O)O
ACDLabs 12.01	OC1C(OC(C(O)C1O)CO)Oc2ccccc2
OpenEye OEToolkits 1.9.2	c1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O
CACTVS 3.385	OC[CH]1O[CH](Oc2ccccc2)[CH](O)[CH](O)[CH]1O

Name:

phenyl beta-D-galactopyranoside;
phenyl beta-D-galactoside;
phenyl D-galactoside;
phenyl galactoside

ChEMBL:

CHEMBL4464291

ZINC:

ZINC000004095887

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).