BioLiP

PDB

BioLiP

PDB CCD ID:

JV4

Number of entries in BioLiP:

Chemical formula:

C6 H12 F O8 P

InChI:

InChI=1S/C6H12FO8P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-6,8-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1

InChIKey:

ZDQPPJLAZOIPEN-VFUOTHLCSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[C@H]1[C@H](O)[C@@H](CF)O[C@H](O[P](O)(O)=O)[C@@H]1O
ACDLabs 12.01	C1(C(C(OC(C1O)CF)OP(O)(=O)O)O)O
OpenEye OEToolkits 2.0.6	C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)F
CACTVS 3.385	O[CH]1[CH](O)[CH](CF)O[CH](O[P](O)(O)=O)[CH]1O
OpenEye OEToolkits 2.0.6	C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)F

Name:

6-deoxy-6-fluoro-1-O-phosphono-alpha-D-glucopyranose;
6-deoxy-6-fluoro-1-O-phosphono-alpha-D-glucose;
6-deoxy-6-fluoro-1-O-phosphono-D-glucose;
6-deoxy-6-fluoro-1-O-phosphono-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).