BioLiP

PDB

BioLiP

PDB CCD ID:

UL6

Number of entries in BioLiP:

Chemical formula:

C13 H23 N O8

InChI:

InChI=1S/C13H23NO8/c1-7(16)14-10-12(18)11(17)9(4-15)22-13(10)21-6-8-5-19-2-3-20-8/h8-13,15,17-18H,2-6H2,1H3,(H,14,16)/t8-,9+,10+,11+,12+,13+/m0/s1

InChIKey:

WYEPHXYJGRPYCT-ZRFFIENRSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(=O)NC1C(C(C(OC1OCC2COCCO2)CO)O)O
OpenEye OEToolkits 2.0.7	CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@@H]2COCCO2)CO)O)O
CACTVS 3.385	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC[C@@H]2COCCO2
ACDLabs 12.01	CC(=O)NC1C(O)C(O)C(CO)OC1OCC1COCCO1
CACTVS 3.385	CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OC[CH]2COCCO2

Name:

[(2S)-1,4-dioxan-2-yl]methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside

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).