Chemical Components in the PDB

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SPK : Summary

Code

SPK

One-letter code

X

Molecule name

SPERMINE (FULLY PROTONATED FORM)

Systematic names

ProgramVersionName
ACDLabs 12.01 N,N'-bis(3-ammoniopropyl)butane-1,4-diaminium
OpenEye OEToolkits 1.7.2 3-azaniumylpropyl-[4-(3-azaniumylpropylazaniumyl)butyl]azanium

Formula

C10 H30 N4

Formal charge

4

Molecular weight

206.372 Da

SMILES

TypeProgramVersionDescriptor
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+]

IUPAC InChI

InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2/p+4

IUPAC InChI key

PFNFFQXMRSDOHW-UHFFFAOYSA-R
SPK

wwPDB Information

Atom count

44 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAI

Is modified

No

Standard parent

Not Assigned

Defined at

2001-12-07

Last modified at

2011-06-07

Status

Released

Obsoleted

Not Assigned