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SPK : Summary
Code
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SPK
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One-letter code
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X
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Molecule name
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SPERMINE (FULLY PROTONATED FORM)
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Systematic names
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Formula
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C10 H30 N4
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Formal charge
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4
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Molecular weight
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206.372 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
C(CCC[NH2+]CCC[NH3+])[NH2+]CCC[NH3+] |
SMILES
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CACTVS |
3.370 |
[NH3+]CCC[NH2+]CCCC[NH2+]CCC[NH3+] |
SMILES
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OpenEye OEToolkits |
1.7.2 |
C(CC[NH2+]CCC[NH3+])C[NH2+]CCC[NH3+] |
Canonical SMILES
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CACTVS |
3.370 |
[NH3+]CCC[NH2+]CCCC[NH2+]CCC[NH3+] |
Canonical SMILES
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OpenEye OEToolkits |
1.7.2 |
C(CC[NH2+]CCC[NH3+])C[NH2+]CCC[NH3+] |
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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 |
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wwPDB Information |
Atom count
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44 (14 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAI
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2001-12-07
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Last modified at
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2011-06-07
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Status
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Released
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Obsoleted
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Not Assigned
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