BioLiP

PDB

BioLiP

PDB CCD ID:

KQC

Number of entries in BioLiP:

Chemical formula:

C6 H11 F O5

InChI:

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

InChIKey:

FIHYONSINSKFAH-VFUOTHLCSA-N

SMILES:

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

Name:

(2R,3R,4R,5S,6R)-5-fluoranyl-6-(hydroxymethyl)oxane-2,3,4-triol

ZINC:

ZINC000003956764

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).