BioLiP

PDB

BioLiP

PDB CCD ID:

Z3L

Number of entries in BioLiP:

Chemical formula:

C14 H20 O10

InChI:

InChI=1S/C14H20O10/c1-6(15)20-5-10-11(21-7(2)16)12(22-8(3)17)13(14(19)24-10)23-9(4)18/h10-14,19H,5H2,1-4H3/t10-,11+,12+,13-,14-/m1/s1

InChIKey:

IEOLRPPTIGNUNP-MBJXGIAVSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(OCC1OC(O)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)C
OpenEye OEToolkits 1.7.6	CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)OC(=O)C)OC(=O)C)OC(=O)C
CACTVS 3.370	CC(=O)OC[C@H]1O[C@@H](O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O
CACTVS 3.370	CC(=O)OC[CH]1O[CH](O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1OC(C)=O
OpenEye OEToolkits 1.7.6	CC(=O)OCC1C(C(C(C(O1)O)OC(=O)C)OC(=O)C)OC(=O)C

Name:

2,3,4,6-tetra-O-acetyl-beta-D-galactopyranose

ZINC:

ZINC000034621020

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).