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- ChemComp-LB9: 5-azaniumylpentylazanium -

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Basic information

EntryDatabase: PDB chemical components / ID: LB9
NameName: 5-azaniumylpentylazanium / Synonyms: cadaverine (protonated)

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Chemical information

Composition
Formula: C5H16N2 / Number of atoms: 23 / Formula weight: 104.194 / Formal charge: 2
Others

8a71

N2P

Type: non-polymer / PDB classification: HETAIN / Three letter code: LB9 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8A71 / Parent comp.: N2P
History
Create componentJun 29, 2022
Modify descriptorAug 22, 2022
Initial releaseFeb 22, 2023
External linksUniChem / ChemSpider / ChEBI / Metabolights / Nikkaji / PubChem / Rhea / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385[NH3+]CCCCC[NH3+]
OpenEye OEToolkits 2.0.7C(CC[NH3+])CC[NH3+]

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SMILES CANONICAL

CACTVS 3.385[NH3+]CCCCC[NH3+]
OpenEye OEToolkits 2.0.7C(CC[NH3+])CC[NH3+]

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InChI

InChI 1.06InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2/p+2

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InChIKey

InChI 1.06VHRGRCVQAFMJIZ-UHFFFAOYSA-P

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PDB entries

Showing all 1 items

PDB-8a71:
Crystal structure of right-handed Z-DNA containing 2'-deoxy-L-ribose in complex with the polyamine cadaverine and potassium cations at ultrahigh resolution

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