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- ChemComp-ARN: 1-IMINO-5-PENTANONE -

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Basic information

EntryDatabase: PDB chemical components / ID: ARN
NameName: 1-imino-5-pentanone

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Chemical information

Composition
Formula: C5H9NO / Number of atoms: 16 / Formula weight: 99.131 / Formal charge: 0
Others

2f58

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: ARN / Model coordinates PDB-ID: 2F58
History
Create componentSep 22, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / PubChem / SureChEMBL / 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 10.04O=CCCCC=[N@H]
CACTVS 3.341N=CCCCC=O
OpenEye OEToolkits 1.5.0C(CC=N)CC=O

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SMILES CANONICAL

CACTVS 3.341N=CCCCC=O
OpenEye OEToolkits 1.5.0C(CC=N)CC=O

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InChI

InChI 1.03InChI=1S/C5H9NO/c6-4-2-1-3-5-7/h4-6H,1-3H2

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InChIKey

InChI 1.03UWHJGSVKWBLVLI-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(5E)-5-iminopentanal
OpenEye OEToolkits 1.5.05-iminopentanal

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PDB entries

Showing all 1 items

PDB-2f58:
IGG1 FAB FRAGMENT (58.2) COMPLEX WITH 12-RESIDUE CYCLIC PEPTIDE (INCLUDING RESIDUES 315-324 OF HIV-1 GP120) (MN ISOLATE)

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