BioLiP

PDB

BioLiP

PDB CCD ID:

WEB

Number of entries in BioLiP:

Chemical formula:

C6 H12 O6

InChI:

InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5-,6+/m1/s1

InChIKey:

LKDRXBCSQODPBY-KAZBKCHUSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC[C]1(O)OC[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7	C1[C@H]([C@H]([C@H]([C@@](O1)(CO)O)O)O)O
OpenEye OEToolkits 2.0.7	C1C(C(C(C(O1)(CO)O)O)O)O
CACTVS 3.385	OC[C@]1(O)OC[C@@H](O)[C@@H](O)[C@H]1O

Name:

alpha-D-psicopyranose;
(2~{S},3~{R},4~{R},5~{R})-2-(hydroxymethyl)oxane-2,3,4,5-tetrol

ZINC:

ZINC000004097154

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).