BioLiP

PDB

BioLiP

PDB CCD ID:

SR0

Number of entries in BioLiP:

Chemical formula:

C7 H22 N3

InChI:

InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2/p+3

InChIKey:

ATHGHQPFGPMSJY-UHFFFAOYSA-Q

SMILES:

Software	SMILES
ACDLabs 12.01 CACTVS 3.385	[NH3+]CCCC[NH2+]CCC[NH3+]
OpenEye OEToolkits 2.0.6	C(CC[NH2+]CCC[NH3+])C[NH3+]

Name:

N~1~-(3-azaniumylpropyl)butane-1,4-diaminium;
spermidine, 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).