BioLiP

PDB

BioLiP

PDB CCD ID:

9WZ

Number of entries in BioLiP:

Chemical formula:

C14 H20 O8

InChI:

InChI=1S/C14H20O8/c15-4-3-8-1-2-10(9(18)5-8)21-14(7-17)13(20)12(19)11(6-16)22-14/h1-2,5,11-13,15-20H,3-4,6-7H2/t11-,12-,13+,14-/m1/s1

InChIKey:

CNXXGYXVIZNKJW-YIYPIFLZSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OCCc1ccc(O[C]2(CO)O[CH](CO)[CH](O)[CH]2O)c(O)c1
OpenEye OEToolkits 2.0.6	c1cc(c(cc1CCO)O)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO
CACTVS 3.385	OCCc1ccc(O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)c(O)c1
OpenEye OEToolkits 2.0.6	c1cc(c(cc1CCO)O)OC2(C(C(C(O2)CO)O)O)CO

Name:

2-hydroxy-4-(2-hydroxyethyl)phenyl beta-D-fructofuranoside;
(2~{S},3~{S},4~{S},5~{R})-2-[4-(2-hydroxyethyl)-2-oxidanyl-phenoxy]-2,5-bis(hydroxymethyl)oxolane-3,4-diol;
2-hydroxy-4-(2-hydroxyethyl)phenyl beta-D-fructoside;
2-hydroxy-4-(2-hydroxyethyl)phenyl D-fructoside;
2-hydroxy-4-(2-hydroxyethyl)phenyl fructoside

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).