BioLiP

PDB

BioLiP

PDB CCD ID:

ZB3

Number of entries in BioLiP:

Chemical formula:

C8 H16 O6

InChI:

InChI=1S/C8H16O6/c1-12-3-4-5(9)6(10)7(13-2)8(11)14-4/h4-11H,3H2,1-2H3/t4-,5-,6+,7-,8+/m1/s1

InChIKey:

CJUQCEZPMNQPIV-CBQIKETKSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O(C)C1C(O)C(O)C(OC1O)COC
CACTVS 3.370	COC[CH]1O[CH](O)[CH](OC)[CH](O)[CH]1O
CACTVS 3.370	COC[C@H]1O[C@H](O)[C@H](OC)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.7.6	COCC1C(C(C(C(O1)O)OC)O)O
OpenEye OEToolkits 1.7.6	COC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OC)O)O

Name:

2,6-di-O-methyl-alpha-D-glucopyranose

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).