BioLiP

PDB

BioLiP

PDB CCD ID:

Z3Q

Number of entries in BioLiP:

Chemical formula:

C10 H18 N4 O6

InChI:

InChI=1S/C10H18N4O6/c1-5(16)13-7-9(18)8(17)6(4-15)20-10(7)19-3-2-12-14-11/h6-10,15,17-18H,2-4H2,1H3,(H,13,16)/t6-,7-,8-,9-,10-/m1/s1

InChIKey:

DHQJPCIPZHPDSL-VVULQXIFSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(NC1C(O)C(O)C(OC1OCC\N=[N+]=[N-])CO)C
OpenEye OEToolkits 1.7.6	CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCCN=[N+]=[N-])CO)O)O
CACTVS 3.370	CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OCCN=[N+]=[N-]
OpenEye OEToolkits 1.7.6	CC(=O)NC1C(C(C(OC1OCCN=[N+]=[N-])CO)O)O
CACTVS 3.370	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OCCN=[N+]=[N-]

Name:

2-azidoethyl 2-acetamido-2-deoxy-beta-D-glucopyranoside;
2-azidoethyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside;
2-azidoethyl 2-acetamido-2-deoxy-beta-D-glucoside;
2-azidoethyl 2-acetamido-2-deoxy-D-glucoside;
2-azidoethyl 2-acetamido-2-deoxy-glucoside

ZINC:

ZINC000035928963

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).