BioLiP

PDB

BioLiP

PDB CCD ID:

FIF

Number of entries in BioLiP:

Chemical formula:

C6 H9 F O5

InChI:

InChI=1S/C6H9FO5/c7-2-1-12-5(6(10)11)4(9)3(2)8/h2-5,8-9H,1H2,(H,10,11)/t2-,3+,4-,5+/m0/s1

InChIKey:

KRAJNEOUENOZDR-SKNVOMKLSA-N

SMILES:

Software	SMILES
CACTVS 3.370	O[CH]1[CH](F)CO[CH]([CH]1O)C(O)=O
ACDLabs 12.01	FC1C(O)C(O)C(OC1)C(=O)O
CACTVS 3.370	O[C@@H]1[C@@H](F)CO[C@H]([C@H]1O)C(O)=O
OpenEye OEToolkits 1.7.6	C1C(C(C(C(O1)C(=O)O)O)O)F
OpenEye OEToolkits 1.7.6	C1[C@@H]([C@H]([C@@H]([C@@H](O1)C(=O)O)O)O)F

Name:

2,6-anhydro-5-deoxy-5-fluoro-L-idonic acid;
2-deoxy-2-fluoro-alpha-L-idopyranuronosyl fluoride, bound form

ZINC:

ZINC000095921357

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).