BioLiP

PDB

BioLiP

PDB CCD ID:

A1H37

Number of entries in BioLiP:

Chemical formula:

C6 H9 F O3

InChI:

InChI=1S/C6H9FO3/c7-3-1-9-4-2-10-6(3)5(4)8/h3-6,8H,1-2H2/t3-,4+,5-,6+/m0/s1

InChIKey:

BIAPWCHZUDCPBP-BGPJRJDNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1[C@@H]2[C@@H]([C@H](O1)[C@H](CO2)F)O
OpenEye OEToolkits 2.0.7	C1C2C(C(O1)C(CO2)F)O
CACTVS 3.385	O[CH]1[CH]2CO[CH]1[CH](F)CO2
CACTVS 3.385	O[C@H]1[C@H]2CO[C@@H]1[C@@H](F)CO2

Name:

(1~{R},4~{S},5~{S},8~{S})-4-fluoranyl-2,6-dioxabicyclo[3.2.1]octan-8-ol;
1,2-diF-ADG;
3,6-Anhydro-2-deoxy-2-fluoro-a-D-galactopyranosyl fluoride

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).