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- ChemComp-UBQ: 4-methyl-~{N}-undecyl-pyridine-1-carboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: UBQ
NameName: 4-methyl-~{N}-undecyl-pyridine-1-carboxamide

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Chemical information

Composition
Formula: C18H36N2O / Number of atoms: 57 / Formula weight: 296.491 / Formal charge: 0
Others

7ngx

Type: non-polymer / PDB classification: HETAIN / Three letter code: UBQ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7NGX
History
Create componentFeb 9, 2021
Modify value orderFeb 12, 2021
Initial releaseFeb 23, 2022
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 3.385CCCCCCCCCCCNC(=O)[N+]1CCC(C)CC1
OpenEye OEToolkits 2.0.7CCCCCCCCCCCNC(=O)[N+]1CCC(CC1)C

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SMILES CANONICAL

CACTVS 3.385CCCCCCCCCCCNC(=O)[N+]1CCC(C)CC1
OpenEye OEToolkits 2.0.7CCCCCCCCCCCNC(=O)[N+]1CCC(CC1)C

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InChI

InChI 1.03InChI=1S/C18H36N2O/c1-3-4-5-6-7-8-9-10-11-14-19-18(21)20-15-12-17(2)13-16-20/h17H,3-16H2,1-2H3,(H,19,21)/p+1

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InChIKey

InChI 1.03SYMUTLCUVXEJOU-UHFFFAOYSA-O

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PDB entries

Showing all 1 items

PDB-7ngx:
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound

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