BioLiP

PDB

BioLiP

PDB CCD ID:

B0D

Number of entries in BioLiP:

Chemical formula:

C6 H10 F2 O5

InChI:

InChI=1S/C6H10F2O5/c7-5-3(11)2(10)4(12)6(8,1-9)13-5/h2-5,9-12H,1H2/t2-,3-,4+,5+,6+/m1/s1

InChIKey:

MGHYRMVVRYCAON-PQMKYFCFSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	C(C1(C(C(C(C(O1)F)O)O)O)F)O
ACDLabs 11.02	FC1OC(F)(C(O)C(O)C1O)CO
OpenEye OEToolkits 1.7.0	C([C@]1([C@H]([C@@H]([C@H]([C@H](O1)F)O)O)O)F)O
CACTVS 3.352	OC[C@]1(F)O[C@H](F)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.352	OC[C]1(F)O[CH](F)[CH](O)[CH](O)[CH]1O

Name:

(2R,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

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).