SPK

SPERMINE (FULLY PROTONATED FORM)

Created:	2001-12-07
Last modified:	2011-06-07

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16 entries where SPK is found as a standalone ligand

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Chemical Details
Formal Charge	4
Atom Count	44
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	0

2D diagram of SPK

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Chemical Component Summary
Name	SPERMINE (FULLY PROTONATED FORM)
Systematic Name (OpenEye OEToolkits)	3-azaniumylpropyl-[4-(3-azaniumylpropylazaniumyl)butyl]azanium
Formula	C₁₀ H₃₀ N₄
Molecular Weight	206.372
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(CCC[NH2+]CCC[NH3+])[NH2+]CCC[NH3+]
SMILES	CACTVS	3.370	[NH3+]CCC[NH2+]CCCC[NH2+]CCC[NH3+]
SMILES	OpenEye OEToolkits	1.7.2	C(CC[NH2+]CCC[NH3+])C[NH2+]CCC[NH3+]
Canonical SMILES	CACTVS	3.370	[NH3+]CCC[NH2+]CCCC[NH2+]CCC[NH3+]
Canonical SMILES	OpenEye OEToolkits	1.7.2	C(CC[NH2+]CCC[NH3+])C[NH2+]CCC[NH3+]
InChI	InChI	1.03	InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2/p+4
InChIKey	InChI	1.03	PFNFFQXMRSDOHW-UHFFFAOYSA-R

Related Resource References

Resource Name	Reference
PubChem	446718
ChEBI	CHEBI:45725
CCDC/CSD	SPEHCL01, EDOLEO, HIGSUL, SOYRAZ, ASERAT, SPINPH02, FIMSAV, XUBYUP
COD	2013662, 7101215

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.