BioLiP

PDB

BioLiP

PDB CCD ID:

GLD

Number of entries in BioLiP:

Chemical formula:

C6 H12 O4

InChI:

InChI=1S/C6H12O4/c1-3-2-4(7)5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4+,5-,6+/m1/s1

InChIKey:

BJBURJZEESAQPG-MOJAZDJTSA-N

SMILES:

Software	SMILES
CACTVS 3.341	C[CH]1C[CH](O)[CH](O)[CH](O)O1
ACDLabs 10.04	OC1CC(OC(O)C1O)C
OpenEye OEToolkits 1.5.0	CC1CC(C(C(O1)O)O)O
OpenEye OEToolkits 1.5.0	C[C@@H]1C[C@@H]([C@H]([C@H](O1)O)O)O
CACTVS 3.341	C[C@@H]1C[C@H](O)[C@@H](O)[C@@H](O)O1

Name:

4,6-dideoxy-alpha-D-xylo-hexopyranose;
4,6-DIDEOXYGLUCOSE;
4,6-dideoxy-alpha-D-xylo-hexose;
4,6-dideoxy-D-xylo-hexose;
4,6-dideoxy-xylo-hexose

DrugBank:

DB01841

ZINC:

ZINC000012501177

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).