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BioLiP

PDB CCD ID: SPK
Number of entries in BioLiP: 0
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:
SoftwareSMILES
OpenEye OEToolkits 1.7.2C(CC[NH2+]CCC[NH3+])C[NH2+]CCC[NH3+]
CACTVS 3.370[NH3+]CCC[NH2+]CCCC[NH2+]CCC[NH3+]
ACDLabs 12.01C(CCC[NH2+]CCC[NH3+])[NH2+]CCC[NH3+]
Name:SPERMINE (FULLY PROTONATED FORM)
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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