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- ChemComp-P8K: hexyl(octoxy)phosphinic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: P8K
NameName: hexyl(octoxy)phosphinic acid

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Chemical information

Composition
Formula: C14H31O3P / Number of atoms: 49 / Formula weight: 278.368 / Formal charge: 0
Others

6yql
PDB Unreleased entry

Type: non-polymer / PDB classification: HETAIN / Three letter code: P8K / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6YQL
History
Create componentApr 17, 2020
Initial releaseJul 6, 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 3.385CCCCCCCCO[P](O)(=O)CCCCCC
OpenEye OEToolkits 2.0.7CCCCCCCCOP(=O)(CCCCCC)O

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SMILES CANONICAL

CACTVS 3.385CCCCCCCCO[P](O)(=O)CCCCCC
OpenEye OEToolkits 2.0.7CCCCCCCCOP(=O)(CCCCCC)O

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InChI

InChI 1.03InChI=1S/C14H31O3P/c1-3-5-7-9-10-11-13-17-18(15,16)14-12-8-6-4-2/h3-14H2,1-2H3,(H,15,16)

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InChIKey

InChI 1.03ITXAFDXPCLYZIG-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7pu6:
STRUCTURE OF ESTER-HYDROLASE EH7 FROM THE METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY) COMPLEXED WITH A DERIVATIVE OF OCTYL 4-NITROPHENYL HEXYLPHOSPHONATE

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