BioLiP

PDB

BioLiP

PDB CCD ID:

ZB1

Number of entries in BioLiP:

Chemical formula:

C7 H14 O6

InChI:

InChI=1S/C7H14O6/c1-12-6-4(9)3(2-8)13-7(11)5(6)10/h3-11H,2H2,1H3/t3-,4-,5-,6+,7+/m1/s1

InChIKey:

SCBBSJMAPKXHAH-OVHBTUCOSA-N

SMILES:

Software	SMILES
CACTVS 3.370	CO[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]1O
OpenEye OEToolkits 1.7.6	COC1C(C(OC(C1O)O)CO)O
OpenEye OEToolkits 1.7.6	CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O)CO)O
CACTVS 3.370	CO[CH]1[CH](O)[CH](O)O[CH](CO)[CH]1O
ACDLabs 12.01	O(C1C(O)C(OC(O)C1O)CO)C

Name:

3-O-methyl-alpha-D-glucopyranose

ZINC:

ZINC000003861772

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).