BioLiP

PDB

BioLiP

PDB CCD ID:

58I

Number of entries in BioLiP:

Chemical formula:

C4 H14 N2

InChI:

InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2/p+2

InChIKey:

KIDHWZJUCRJVML-UHFFFAOYSA-P

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(CC[NH3+])C[NH3+]
CACTVS 3.385	[NH3+]CCCC[NH3+]

Name:

4-azaniumylbutylazanium;
Butane-1,4-diyldiammonium;
Putrescinium

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).