BioLiP

PDB

BioLiP

PDB CCD ID:

DFX

Number of entries in BioLiP:

Chemical formula:

C5 H9 F O3

InChI:

InChI=1S/C5H9FO3/c6-3-1-9-2-4(7)5(3)8/h3-5,7-8H,1-2H2/t3-,4+,5+/m0/s1

InChIKey:

YIJTWYXBSRZXRS-VPENINKCSA-N

SMILES:

Software	SMILES
CACTVS 3.341	O[C@@H]1COC[C@H](F)[C@H]1O
ACDLabs 10.04	FC1COCC(O)C1O
CACTVS 3.341	O[CH]1COC[CH](F)[CH]1O
OpenEye OEToolkits 1.5.0	C1[C@H]([C@@H]([C@H](CO1)F)O)O
OpenEye OEToolkits 1.5.0	C1C(C(C(CO1)F)O)O

Name:

1,5-anhydro-2-deoxy-2-fluoro-D-xylitol;
1,2-DEOXY-2-FLUORO-XYLOPYRANOSE

ZINC:

ZINC000015297146

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).