BioLiP

PDB

BioLiP

PDB CCD ID:

WKO

Number of entries in BioLiP:

Chemical formula:

C7 H12 O6

InChI:

InChI=1S/C7H12O6/c1-3(8)13-6-5(10)4(9)2-12-7(6)11/h4-7,9-11H,2H2,1H3/t4-,5+,6-,7-/m1/s1

InChIKey:

CEACMPMINNIFFY-XZBKPIIZSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	OC1OCC(O)C(O)C1OC(C)=O
OpenEye OEToolkits 2.0.7	CC(=O)O[C@@H]1[C@H]([C@@H](CO[C@H]1O)O)O
CACTVS 3.385	CC(=O)O[CH]1[CH](O)OC[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7	CC(=O)OC1C(C(COC1O)O)O
CACTVS 3.385	CC(=O)O[C@H]1[C@H](O)OC[C@@H](O)[C@@H]1O

Name:

2-O-acetyl-beta-D-xylopyranose

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).