BioLiP

PDB

BioLiP

PDB CCD ID:

GU9

Number of entries in BioLiP:

Chemical formula:

C9 H18 O6

InChI:

InChI=1S/C9H18O6/c1-12-4-5-6(10)7(13-2)8(14-3)9(11)15-5/h5-11H,4H2,1-3H3/t5-,6?,7+,8-,9+/m1/s1

InChIKey:

LXJBARMBDDODTG-MSMGWUHYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	COC[C@H]1O[C@H](O)[C@H](OC)[C@@H](OC)[C@@H]1O
CACTVS 3.341	COC[CH]1O[CH](O)[CH](OC)[CH](OC)[CH]1O
OpenEye OEToolkits 1.5.0	COCC1C(C(C(C(O1)O)OC)OC)O
OpenEye OEToolkits 1.5.0	COC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OC)OC)O
ACDLabs 10.04	O(C)C1C(OC)C(O)C(OC1O)COC

Name:

2,3,6-tri-O-methyl-alpha-D-glucopyranose;
2,3,6-tri-O-methyl-alpha-D-glucose;
2,3,6-tri-O-methyl-D-glucose;
2,3,6-tri-O-methyl-glucose

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).