BioLiP

PDB

BioLiP

PDB CCD ID:

DT6

Number of entries in BioLiP:

Chemical formula:

C10 H18 N2 O6

InChI:

InChI=1S/C10H18N2O6/c1-4(14)11-7-6(3-13)18-10(17)8(9(7)16)12-5(2)15/h6-10,13,16-17H,3H2,1-2H3,(H,11,14)(H,12,15)/t6-,7-,8-,9+,10-/m1/s1

InChIKey:

VNVBLPSANNIIQI-GRDBIXFFSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CC(=O)N[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)NC(=O)C)O)CO
CACTVS 3.370	CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](NC(C)=O)[C@@H]1O
OpenEye OEToolkits 1.7.6	CC(=O)NC1C(OC(C(C1O)NC(=O)C)O)CO
CACTVS 3.370	CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](NC(C)=O)[CH]1O
ACDLabs 12.01	O=C(NC1C(OC(O)C(NC(=O)C)C1O)CO)C

Name:

2,4-bisacetamido-2,4-dideoxy-beta-D-glucopyranose;
2,4-bis(acetylamino)-2,4-dideoxy-beta-D-glucopyranose;
2,4-bisacetamido-2,4-dideoxy-beta-D-glucose;
2,4-bisacetamido-2,4-dideoxy-D-glucose;
2,4-bisacetamido-2,4-dideoxy-glucose

ZINC:

ZINC000038792235

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).