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- ChemComp-LC4: 12-(1H-imidazol-1-yl)dodecanoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: LC4
NameName: 12-(1H-imidazol-1-yl)dodecanoic acid

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Chemical information

Composition
Formula: C15H26N2O2 / Number of atoms: 45 / Formula weight: 266.379 / Formal charge: 0
Others

3lc4

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: LC4 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3LC4
History
Create componentJan 13, 2010
Modify descriptorJun 4, 2011
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

CACTVS 3.352OC(=O)CCCCCCCCCCCn1ccnc1
OpenEye OEToolkits 1.7.0c1cn(cn1)CCCCCCCCCCCC(=O)O

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SMILES CANONICAL

CACTVS 3.352OC(=O)CCCCCCCCCCCn1ccnc1
OpenEye OEToolkits 1.7.0c1cn(cn1)CCCCCCCCCCCC(=O)O

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InChI

InChI 1.03InChI=1S/C15H26N2O2/c18-15(19)10-8-6-4-2-1-3-5-7-9-12-17-13-11-16-14-17/h11,13-14H,1-10,12H2,(H,18,19)

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InChIKey

InChI 1.03XMSOPSLXOAQSRQ-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 1.6.112-imidazol-1-yldodecanoic acid

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PDB entries

Showing all 1 items

PDB-3lc4:
Human Cytochrome P450 2E1 in Complex with Omega-Imidazolyl-Dodecanoic Acid

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