BioLiP

PDB

BioLiP

PDB CCD ID:

5DI

Number of entries in BioLiP:

Chemical formula:

C6 H9 F O5

InChI:

InChI=1S/C6H9FO5/c7-6(2-8)5(11)4(10)3(9)1-12-6/h4-5,8,10-11H,1-2H2/t4-,5+,6+/m1/s1

InChIKey:

VCJAHEOIRFFLTQ-SRQIZXRXSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C1C(O)C(O)C(F)(OC1)CO
OpenEye OEToolkits 1.9.2	C1C(=O)C(C(C(O1)(CO)F)O)O
CACTVS 3.385	OC[C@]1(F)OCC(=O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.9.2	C1C(=O)[C@H]([C@@H]([C@@](O1)(CO)F)O)O
CACTVS 3.385	OC[C]1(F)OCC(=O)[CH](O)[CH]1O

Name:

alpha-D-threo-hexo-2,5-diulo-2,6-pyranosyl fluoride;
2-OXO-1,2,DIDEOXY-5F-D-IDOPYRANOSE;
alpha-D-threo-hexo-2,5-diulo-2,6-syl fluoride;
D-threo-hexo-2,5-diulo-2,6-syl fluoride;
threo-hexo-2,5-diulo-2,6-syl fluoride

ZINC:

ZINC000095921363

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).