BioLiP

PDB

BioLiP

PDB CCD ID:

TUP

Number of entries in BioLiP:

Chemical formula:

C6 H11 F O5

InChI:

InChI=1S/C6H11FO5/c7-3-4(9)2(1-8)12-6(11)5(3)10/h2-6,8-11H,1H2/t2-,3+,4-,5-,6+/m1/s1

InChIKey:

BUMRBAMACDBPKO-RXRWUWDJSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC[C@H]1O[C@H](O)[C@H](O)[C@@H](F)[C@@H]1O
OpenEye OEToolkits 2.0.7	C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)F)O)O
CACTVS 3.385	OC[CH]1O[CH](O)[CH](O)[CH](F)[CH]1O
ACDLabs 12.01	FC1C(C(O)OC(C1O)CO)O
OpenEye OEToolkits 2.0.7	C(C1C(C(C(C(O1)O)O)F)O)O

Name:

3-deoxy-3-fluoro-alpha-D-glucopyranose

ZINC:

ZINC000004329336

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).