BioLiP

PDB

BioLiP

PDB CCD ID:

Z9D

Number of entries in BioLiP:

Chemical formula:

C6 H12 O5

InChI:

InChI=1S/C6H12O5/c7-2-3-1-4(8)5(9)6(10)11-3/h3-10H,1-2H2/t3-,4-,5+,6+/m0/s1

InChIKey:

HDEMQQHXNOJATE-UNTFVMJOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C1C(OC(C(C1O)O)O)CO
CACTVS 3.370	OC[CH]1C[CH](O)[CH](O)[CH](O)O1
OpenEye OEToolkits 1.7.6	C1[C@H](O[C@H]([C@@H]([C@H]1O)O)O)CO
CACTVS 3.370	OC[C@@H]1C[C@H](O)[C@@H](O)[C@H](O)O1
ACDLabs 12.01	OC1CC(OC(O)C1O)CO

Name:

4-deoxy-beta-D-xylo-hexopyranose

ZINC:

ZINC000005851334

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).