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- ChemComp-H7N: butoxy(hexyl)phosphinic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: H7N
NameName: butoxy(hexyl)phosphinic acid

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Chemical information

Composition
Formula: C10H23O3P / Number of atoms: 37 / Formula weight: 222.262 / Formal charge: 0
Others

6i8d

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: H7N / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6I8D
History
Create componentNov 20, 2018
Initial releaseNov 27, 2019
External linksUniChem / ChemSpider / PubChem / 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 3.385CCCCCC[P](O)(=O)OCCCC
OpenEye OEToolkits 2.0.6CCCCCCP(=O)(O)OCCCC

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SMILES CANONICAL

CACTVS 3.385CCCCCC[P](O)(=O)OCCCC
OpenEye OEToolkits 2.0.6CCCCCC[P@@](=O)(O)OCCCC

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InChI

InChI 1.03InChI=1S/C10H23O3P/c1-3-5-7-8-10-14(11,12)13-9-6-4-2/h3-10H2,1-2H3,(H,11,12)

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InChIKey

InChI 1.03ALZDUSNEVXETKK-UHFFFAOYSA-N

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PDB entries

Showing all 2 items

PDB-6i8d:
STRUCTURE OF ESTER-HYDROLASE EH1AB1 FROM THE METAGENOME OF LAKE ARREO COMPLEXED WITH A DERIVATIVE OF BUTYL 4-NITROPHENYL HEXYLPHOSPHONATE

PDB-6syl:
STRUCTURE OF ESTER-HYDROLASE EH3 FROM THE METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY) COMPLEXED WITH A DERIVATIVE OF BUTYL 4-NITROPHENYL HEXYLPHOSPHONATE

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