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- ChemComp-4NE: tetrabutylphosphonium -

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Basic information

EntryDatabase: PDB chemical components / ID: 4NE
NameName: tetrabutylphosphonium

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Chemical information

Composition
Formula: C16H36P / Number of atoms: 53 / Formula weight: 259.431 / Formal charge: 1
Others

4ney

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 4NE / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4NEY
History
Create componentNov 12, 2013
Initial releaseJan 15, 2014
External linksUniChem / ChemSpider / ChEMBL / CompTox / Nikkaji / PubChem / PubChem_TPharma / 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

ACDLabs 12.01CCCC[P+](CCCC)(CCCC)CCCC
CACTVS 3.370CCCC[P+](CCCC)(CCCC)CCCC
OpenEye OEToolkits 1.7.6CCCC[P+](CCCC)(CCCC)CCCC

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SMILES CANONICAL

CACTVS 3.370CCCC[P+](CCCC)(CCCC)CCCC
OpenEye OEToolkits 1.7.6CCCC[P+](CCCC)(CCCC)CCCC

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InChI

InChI 1.03InChI=1S/C16H36P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3/q+1

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InChIKey

InChI 1.03BJQWBACJIAKDTJ-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01tetrabutylphosphonium
OpenEye OEToolkits 1.7.6tetrabutylphosphanium

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PDB entries

Showing all 5 items

PDB-4ney:
Crystal Structure of an engineered protein with ferredoxin fold, Northeast Structural Genomics Consortium (NESG) Target OR277

PDB-4nez:
Crystal Structure of an engineered protein with ferredoxin fold, Northeast Structural Genomics Consortium (NESG) Target OR276

PDB-9cs0:
E. coli BamA beta-barrel bound to darobactin and cyclic peptide CP1

PDB-9cs1:
E. coli BamA beta-barrel bound to darobactin and cyclic peptide CP2

PDB-9cs2:
E. coli BamA beta-barrel bound to cyclic peptide CP3

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