SEQ2FUN

BioLiP

PDB CCD ID: B5L
Number of entries in BioLiP: 2
Chemical formula: C13 H38 N5
InChI: InChI=1S/C13H34N5/c14-6-1-2-10-18(11-3-7-15,12-4-8-16)13-5-9-17/h1-17H2/q+1/p+4
InChIKey: FMTAVYOBEGHWPT-UHFFFAOYSA-R
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C(CC[N+](CCC[NH3+])(CCC[NH3+])CCC[NH3+])C[NH3+]
CACTVS 3.385[NH3+]CCCC[N+](CCC[NH3+])(CCC[NH3+])CCC[NH3+]
ACDLabs 12.01C([N+](CCC[NH3+])(CCC[NH3+])CCC[NH3+])CCC[NH3+]
Name:N~1~,N~1~,N~1~-tris(3-azaniumylpropyl)butane-1,4-diaminium;
N4-bis(aminopropyl)spermidine
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).