BioLiP

PDB

BioLiP

PDB CCD ID:

IVG

Number of entries in BioLiP:

Chemical formula:

C10 H18 O9

InChI:

InChI=1S/C10H18O9/c11-1-4(13)7(15)6(2-12)19-10-9(17)8(16)5(14)3-18-10/h1,4-10,12-17H,2-3H2/t4-,5+,6+,7+,8-,9+,10-/m0/s1

InChIKey:

SQNRKWHRVIAKLP-RSZZQXBVSA-N

SMILES:

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

Name:

D-Xylose, 4-O-beta-D-xylopyranosyl-;
Xylobiose

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).