BioLiP

PDB

BioLiP

PDB CCD ID:

C4W

Number of entries in BioLiP:

Chemical formula:

C8 H14 N4 O5

InChI:

InChI=1S/C8H14N4O5/c1-3(14)10-5-7(16)6(15)4(2-13)17-8(5)11-12-9/h4-8,13,15-16H,2H2,1H3,(H,10,14)/t4-,5-,6-,7-,8-/m1/s1

InChIKey:

CCZCDCDASZJFGK-FMDGEEDCSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1N=[N+]=[N-]
OpenEye OEToolkits 2.0.6	CC(=O)NC1C(C(C(OC1N=[N+]=[N-])CO)O)O
OpenEye OEToolkits 2.0.6	CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1N=[N+]=[N-])CO)O)O
CACTVS 3.385	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N=[N+]=[N-]

Name:

1-azido-beta-N-acetyl-D-glucosamine

ZINC:

ZINC000005234415

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).