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- ChemComp-PXV: N-(8-hydroxyoctyl)-4-methoxybenzamide -

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Basic information

EntryDatabase: PDB chemical components / ID: PXV
NameName: N-(8-hydroxyoctyl)-4-methoxybenzamide

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Chemical information

Composition
Formula: C16H25NO3 / Number of atoms: 45 / Formula weight: 279.375 / Formal charge: 0
Others

6u4f
PDB Unreleased entry

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: PXV / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6U4F
History
Create componentAug 28, 2019
Initial releaseNov 9, 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

ACDLabs 12.01C(CO)CCCCCCNC(c1ccc(cc1)OC)=O
CACTVS 3.385COc1ccc(cc1)C(=O)NCCCCCCCCO
OpenEye OEToolkits 2.0.7COc1ccc(cc1)C(=O)NCCCCCCCCO

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SMILES CANONICAL

CACTVS 3.385COc1ccc(cc1)C(=O)NCCCCCCCCO
OpenEye OEToolkits 2.0.7COc1ccc(cc1)C(=O)NCCCCCCCCO

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InChI

InChI 1.03InChI=1S/C16H25NO3/c1-20-15-10-8-14(9-11-15)16(19)17-12-6-4-2-3-5-7-13-18/h8-11,18H,2-7,12-13H2,1H3,(H,17,19)

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InChIKey

InChI 1.03NQLXMEWCEUVFAX-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-(8-hydroxyoctyl)-4-methoxybenzamide
OpenEye OEToolkits 2.0.74-methoxy-~{N}-(8-oxidanyloctyl)benzamide

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PDB entries

Showing all 2 items

PDB-8cse:
WbbB in complex with alpha-Rha-(1-3)-beta-GlcNAc acceptor

PDB-8fux:
KpsC D160C ternary complex

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