BioLiP

PDB

BioLiP

PDB CCD ID:

BXF

Number of entries in BioLiP:

Chemical formula:

C5 H9 F O4

InChI:

InChI=1S/C5H9FO4/c6-3-4(8)2(7)1-10-5(3)9/h2-5,7-9H,1H2/t2-,3-,4+,5-/m1/s1

InChIKey:

YVMHSZGJGHRGOD-SQOUGZDYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C1[C@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O
CACTVS 3.370	O[C@@H]1CO[C@@H](O)[C@H](F)[C@H]1O
CACTVS 3.370	O[CH]1CO[CH](O)[CH](F)[CH]1O
OpenEye OEToolkits 1.7.6	C1C(C(C(C(O1)O)F)O)O
ACDLabs 12.01	FC1C(O)C(O)COC1O

Name:

2-deoxy-2-fluoro-beta-D-xylopyranose;
2-deoxy-2-fluoro-beta-D-xylose;
2-deoxy-2-fluoro-D-xylose;
2-deoxy-2-fluoro-xylose

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).