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- ChemComp-SV7: phenylphosphonic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: SV7
NameName: phenylphosphonic acid

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Chemical information

Composition
Formula: C6H7O3P / Number of atoms: 17 / Formula weight: 158.092 / Formal charge: 0
Others

4cxs

Type: non-polymer / PDB classification: HETAIN / Three letter code: SV7 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4CXS
History
Create componentApr 8, 2014
Initial releaseApr 29, 2015
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 12.01O=P(O)(O)c1ccccc1
CACTVS 3.385O[P](O)(=O)c1ccccc1
OpenEye OEToolkits 1.7.6c1ccc(cc1)P(=O)(O)O

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SMILES CANONICAL

CACTVS 3.385O[P](O)(=O)c1ccccc1
OpenEye OEToolkits 1.7.6c1ccc(cc1)P(=O)(O)O

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InChI

InChI 1.03InChI=1S/C6H7O3P/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)

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InChIKey

InChI 1.03QLZHNIAADXEJJP-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01phenylphosphonic acid
OpenEye OEToolkits 1.7.6phenylphosphonic acid

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PDB entries

Showing all 4 items

PDB-4cxs:
G4 mutant of PAS, arylsulfatase from Pseudomonas aeruginosa, in complex with Phenylphosphonic acid

PDB-4cys:
G6 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa, in complex with Phenylphosphonic acid

PDB-5k4m:
Directed evolutionary changes in MBL super family - NDM-1 Round 10 crystal-3

PDB-9gve:
Structure of phosphonate monoester hydrolase from Rhizobium leguminosarum with phenyl phosphonate

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