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- ChemComp-SS9: 5-[(3-aminopropyl)amino]pentane-1-thiol -

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Basic information

EntryDatabase: PDB chemical components / ID: SS9
NameName: 5-[(3-aminopropyl)amino]pentane-1-thiol

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Chemical information

Composition
Formula: C8H20N2S / Number of atoms: 31 / Formula weight: 176.323 / Formal charge: 0
Others

4zun

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: SS9 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4ZUN
History
Create componentMay 18, 2015
Initial releaseJul 29, 2015
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01C(N)CCNCCCCCS
CACTVS 3.385NCCCNCCCCCS
OpenEye OEToolkits 1.9.2C(CCNCCCN)CCS

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SMILES CANONICAL

CACTVS 3.385NCCCNCCCCCS
OpenEye OEToolkits 1.9.2C(CCNCCCN)CCS

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InChI

InChI 1.03InChI=1S/C8H20N2S/c9-5-4-7-10-6-2-1-3-8-11/h10-11H,1-9H2

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InChIKey

InChI 1.03UEAAWEWNMXIYCA-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.015-[(3-aminopropyl)amino]pentane-1-thiol
OpenEye OEToolkits 1.9.25-(3-azanylpropylamino)pentane-1-thiol

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PDB entries

Showing all 4 items

PDB-4zun:
Crystal structure of acetylpolyamine amidohydrolase from Mycoplana ramosa in complex with a thiol inhibitor

PDB-6phr:
Crystal structure of Marinobacter subterrani acetylpolyamine amidohydrolase (msAPAH) complexed with 5-[(3-aminopropyl)amino]pentane-1-thiol

PDB-6uii:
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with 5-[(3-aminopropyl)amino]pentane-1-thiol

PDB-6uij:
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with S-{5-[(3-aminopropyl)amino]pentyl} thioacetate

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