BioLiP

PDB

BioLiP

PDB CCD ID:

OAZ

Number of entries in BioLiP:

Chemical formula:

C8 H7 N3 O2

InChI:

InChI=1S/C8H7N3O3/c9-11-10-7-4-2-1-3-6(7)5-14-8(12)13/h1-4H,5H2,(H,12,13)

InChIKey:

YHJYQHHCLBKKKY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc(c(c1)COC(=O)O)N=[N+]=[N-]
CACTVS 3.385	OC(=O)OCc1ccccc1N=[N+]=[N-]
ACDLabs 12.01	C(=O)(O)OCc1c(cccc1)N=[N+]=[N-]

Name:

(2-azidophenyl)methyl hydrogen carbonate

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).