BioLiP

PDB

BioLiP

PDB CCD ID:

XLS

Number of entries in BioLiP:

Chemical formula:

C5 H10 O5

InChI:

InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5+/m0/s1

InChIKey:

PYMYPHUHKUWMLA-VPENINKCSA-N

SMILES:

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

Name:

D-xylose;
D-XYLOSE (LINEAR FORM)

ChEMBL:

CHEMBL1236821

DrugBank:

DB09419

ZINC:

ZINC000018168715

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).