BioLiP

PDB

BioLiP

PDB CCD ID:

SPK

Number of entries in BioLiP:

Chemical formula:

C10 H30 N4

InChI:

InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2/p+4

InChIKey:

PFNFFQXMRSDOHW-UHFFFAOYSA-R

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	C(CC[NH2+]CCC[NH3+])C[NH2+]CCC[NH3+]
CACTVS 3.370	[NH3+]CCC[NH2+]CCCC[NH2+]CCC[NH3+]
ACDLabs 12.01	C(CCC[NH2+]CCC[NH3+])[NH2+]CCC[NH3+]

Name:

SPERMINE (FULLY PROTONATED FORM)

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).