BioLiP

PDB

BioLiP

PDB CCD ID:

K3Q

Number of entries in BioLiP:

Chemical formula:

C8 H16 O6

InChI:

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

InChIKey:

HXTJYTSBXOATMS-UIAUGNHASA-N

SMILES:

Software	SMILES
CACTVS 3.385	COC[CH]1O[CH](O)[CH](O)[CH](OC)[CH]1O
OpenEye OEToolkits 2.0.7	COC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)OC)O
OpenEye OEToolkits 2.0.7	COCC1C(C(C(C(O1)O)O)OC)O
CACTVS 3.385	COC[C@H]1O[C@@H](O)[C@H](O)[C@@H](OC)[C@@H]1O

Name:

3,6-O-dimethyl-D-glucose

ZINC:

ZINC000064633780

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).