BioLiP

PDB

BioLiP

PDB CCD ID:

XYL

Number of entries in BioLiP:

Chemical formula:

C5 H12 O5

InChI:

InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5+

InChIKey:

HEBKCHPVOIAQTA-SCDXWVJYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C([C@@H](C([C@@H](CO)O)O)O)O
OpenEye OEToolkits 1.5.0	C(C(C(C(CO)O)O)O)O
CACTVS 3.341	OC[CH](O)[CH](O)[CH](O)CO
CACTVS 3.341	OC[C@H](O)[C@@H](O)[C@H](O)CO
ACDLabs 10.04	OC(CO)C(O)C(O)CO

Name:

Xylitol;
D-Xylitol

ChEMBL:

CHEMBL96783

DrugBank:

DB11195

ZINC:

ZINC000100018612

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).