BioLiP

PDB

BioLiP

PDB CCD ID:

A1ID6

Number of entries in BioLiP:

Chemical formula:

C5 H9 F O4

InChI:

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

InChIKey:

WHVNYMMWPUHYES-LECHCGJUSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1[C@H]([C@@H]([C@H]([C@H](O1)F)O)O)O
OpenEye OEToolkits 2.0.7	C1C(C(C(C(O1)F)O)O)O
CACTVS 3.385	O[CH]1CO[CH](F)[CH](O)[CH]1O
CACTVS 3.385	O[C@@H]1CO[C@H](F)[C@H](O)[C@H]1O

Name:

1-fluoro-D-xylopyranose

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).