BioLiP

PDB

BioLiP

PDB CCD ID:

SPW

Number of entries in BioLiP:

Chemical formula:

C10 H20 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/i/hD10

InChIKey:

PFNFFQXMRSDOHW-NLAGYVBISA-R

SMILES:

Software	SMILES
CACTVS 3.370	[N+](CCC[N+](CCCC[N+](CCC[N+]([2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])([2H])[2H]
OpenEye OEToolkits 1.7.2	[2H][N+]([2H])([2H])CCC[N+]([2H])([2H])CCCC[N+]([2H])([2H])CCC[N+]([2H])([2H])[2H]
ACDLabs 12.01	[2H][N+]([2H])(CCC[N+]([2H])([2H])[2H])CCCC[N+]([2H])([2H])CCC[N+]([2H])([2H])[2H]

Name:

N,N'-BIS(3-AMMONIOPROPYL)BUTANE-1,4-DIAMINIUM;
SPERMINE (FULLY DEUTERATED 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).