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- ChemComp-OIO: 8-(1H-imidazol-1-yl)octanoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: OIO
NameName: 8-(1H-imidazol-1-yl)octanoic acid

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Chemical information

Composition
Formula: C11H18N2O2 / Number of atoms: 33 / Formula weight: 210.273 / Formal charge: 0
Others

3koh

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: OIO / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3KOH
History
Create componentNov 20, 2009
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / ChEMBL / CompTox / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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 3.352OC(=O)CCCCCCCn1ccnc1
OpenEye OEToolkits 1.7.0c1cn(cn1)CCCCCCCC(=O)O

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SMILES CANONICAL

CACTVS 3.352OC(=O)CCCCCCCn1ccnc1
OpenEye OEToolkits 1.7.0c1cn(cn1)CCCCCCCC(=O)O

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InChI

InChI 1.03InChI=1S/C11H18N2O2/c14-11(15)6-4-2-1-3-5-8-13-9-7-12-10-13/h7,9-10H,1-6,8H2,(H,14,15)

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InChIKey

InChI 1.03OUQGDTNNZRAKIB-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 1.6.18-imidazol-1-yloctanoic acid

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PDB entries

Showing all 1 items

PDB-3koh:
Cytochrome P450 2E1 with omega-imidazolyl octanoic acid

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