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- ChemComp-OKS: 8-amino-N-hydroxyoctanamide -

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Basic information

EntryDatabase: PDB chemical components / ID: OKS
NameName: 8-amino-N-hydroxyoctanamide

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Chemical information

Composition
Formula: C8H18N2O2 / Number of atoms: 30 / Formula weight: 174.241 / Formal charge: 0
Others

6pid

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: OKS / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6PID
History
Create componentJun 27, 2019
Initial releaseSep 18, 2019
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(CCCCCCC(=O)NO)N
CACTVS 3.385NCCCCCCCC(=O)NO
OpenEye OEToolkits 2.0.7C(CCCC(=O)NO)CCCN

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SMILES CANONICAL

CACTVS 3.385NCCCCCCCC(=O)NO
OpenEye OEToolkits 2.0.7C(CCCC(=O)NO)CCCN

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InChI

InChI 1.03InChI=1S/C8H18N2O2/c9-7-5-3-1-2-4-6-8(11)10-12/h12H,1-7,9H2,(H,10,11)

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InChIKey

InChI 1.03GPJAXDUQXFPTEI-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.018-amino-N-hydroxyoctanamide
OpenEye OEToolkits 2.0.78-azanyl-~{N}-oxidanyl-octanamide

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PDB entries

Showing all 1 items

PDB-6pid:
Crystal structure of Marinobacter subterrani acetylpolyamine amidohydrolase (msAPAH) complexed with 8-amino-N-hydroxyoctanamide

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