BioLiP

PDB

BioLiP

PDB CCD ID:

XVC

Number of entries in BioLiP:

Chemical formula:

C6 H11 N3 O5

InChI:

InChI=1S/C6H11N3O5/c7-9-8-1-2-3(10)4(11)5(12)6(13)14-2/h2-6,10-13H,1H2/t2-,3-,4+,5-,6+/m1/s1

InChIKey:

CMLRUUHRGSJVMD-DVKNGEFBSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	OC1C(O)C(C\N=[N+]=[N-])OC(O)C1O
OpenEye OEToolkits 2.0.7	C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)N=[N+]=[N-]
CACTVS 3.385	O[CH]1O[CH](CN=[N+]=[N-])[CH](O)[CH](O)[CH]1O
CACTVS 3.385	O[C@H]1O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H](O)[C@H]1O
OpenEye OEToolkits 2.0.7	C(C1C(C(C(C(O1)O)O)O)O)N=[N+]=[N-]

Name:

6-azido-6-deoxy-alpha-D-glucopyranose

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).