BioLiP

PDB

BioLiP

PDB CCD ID:

3CK

Number of entries in BioLiP:

Chemical formula:

C12 H22 O11

InChI:

InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7+,8+,9-,10+,11-,12+/m1/s1

InChIKey:

CZMRCDWAGMRECN-CXWAYFSPSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC[CH]1O[CH](O[C]2(CO)O[CH](CO)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6	C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O
OpenEye OEToolkits 1.7.6	C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@H]([C@H](O2)CO)O)O)CO)O)O)O)O
CACTVS 3.385	OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 12.01	O1C(CO)C(O)C(O)C(O)C1OC2(OC(C(O)C2O)CO)CO

Name:

beta-D-tagatofuranosyl alpha-D-glucopyranoside

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).