BioLiP

PDB

BioLiP

PDB CCD ID:

RVG

Number of entries in BioLiP:

Chemical formula:

C8 H16 O5

InChI:

InChI=1S/C8H16O5/c1-4-5(9)6(11-2)7(12-3)8(10)13-4/h4-10H,1-3H3/t4-,5-,6+,7-,8-/m1/s1

InChIKey:

SXWBIRCAXZNEGK-JAJWTYFOSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	OC1C(OC)C(OC)C(OC1C)O
OpenEye OEToolkits 2.0.7	CC1C(C(C(C(O1)O)OC)OC)O
CACTVS 3.385	CO[CH]1[CH](O)O[CH](C)[CH](O)[CH]1OC
CACTVS 3.385	CO[C@H]1[C@H](O)O[C@H](C)[C@@H](O)[C@@H]1OC
OpenEye OEToolkits 2.0.7	C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)OC)OC)O

Name:

6-deoxy-2,3-di-O-methyl-beta-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).