BioLiP

PDB

BioLiP

PDB CCD ID:

DL6

Number of entries in BioLiP:

Chemical formula:

C8 H14 N4 O6

InChI:

InChI=1S/C8H14N4O6/c9-12-10-1-4(14)11-8-7(17)6(16)5(15)3(2-13)18-8/h3,5-8,13,15-17H,1-2H2,(H,11,14)/t3-,5-,6+,7-,8-/m1/s1

InChIKey:

ACLUEOOMMLAETN-RHROMQPHSA-N

SMILES:

Software	SMILES
CACTVS 3.341	OC[CH]1O[CH](NC(=O)CN=[N+]=[N-])[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0	C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)CN=[N+]=[N-])O)O)O)O
OpenEye OEToolkits 1.5.0	C(C1C(C(C(C(O1)NC(=O)CN=[N+]=[N-])O)O)O)O
CACTVS 3.341	OC[C@H]1O[C@@H](NC(=O)CN=[N+]=[N-])[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04	O=C(NC1OC(C(O)C(O)C1O)CO)C/N=[N+]=[N-]

Name:

N-(azidoacetyl)-beta-D-glucopyranosylamine;
2-AZIDO-N-((2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YL)ACETAMIDE;
N-AZIDOACETYL-BETA-D-GLUCOPYRANOSYLAMINE;
N-(azidoacetyl)-beta-D-glucosylamine;
N-(azidoacetyl)-D-glucosylamine;
N-(azidoacetyl)-glucosylamine

ChEMBL:

CHEMBL1232255

ZINC:

ZINC000016052027

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).