BioLiP

PDB

BioLiP

PDB CCD ID:

5GF

Number of entries in BioLiP:

Chemical formula:

C6 H11 F O6

InChI:

InChI=1S/C6H11FO6/c7-6(1-8)4(11)2(9)3(10)5(12)13-6/h2-5,8-12H,1H2/t2-,3-,4+,5-,6-/m1/s1

InChIKey:

YQZCKDSOGGIGPL-VFUOTHLCSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC[C]1(F)O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.9.2	C(C1(C(C(C(C(O1)O)O)O)O)F)O
ACDLabs 12.01	FC1(OC(O)C(O)C(O)C1O)CO
OpenEye OEToolkits 1.9.2	C([C@@]1([C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)F)O
CACTVS 3.385	OC[C@@]1(F)O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O

Name:

5-fluoro-beta-D-glucopyranose;
5-fluoro-beta-D-glucose;
5-fluoro-D-glucose;
5-fluoro-glucose

ZINC:

ZINC000098208516

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).