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- ChemComp-MDN: METHYLENEDIPHOSPHONIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: MDN
NameName: methylenediphosphonic acid

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Chemical information

Composition
Formula: CH6O6P2 / Number of atoms: 15 / Formula weight: 176.002 / Formal charge: 0
Others

1huz

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: MDN / Model coordinates PDB-ID: 1HUZ
History
Create componentJan 16, 2001
Modify descriptorJun 4, 2011
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 10.04O=P(O)(O)CP(=O)(O)O
CACTVS 3.341O[P](O)(=O)C[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(P(=O)(O)O)P(=O)(O)O

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SMILES CANONICAL

CACTVS 3.341O[P](O)(=O)C[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(P(=O)(O)O)P(=O)(O)O

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InChI

InChI 1.03InChI=1S/CH6O6P2/c2-8(3,4)1-9(5,6)7/h1H2,(H2,2,3,4)(H2,5,6,7)

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InChIKey

InChI 1.03MBKDYNNUVRNNRF-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04methanediylbis(phosphonic acid)
OpenEye OEToolkits 1.5.0phosphonomethylphosphonic acid

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PDB entries

Showing all 6 items

PDB-1huz:
CRYSTAL STRUCTURE OF DNA POLYMERASE COMPLEXED WITH DNA AND CR-PCP

PDB-3hxy:
Crystal Structure of catalytic fragment of E. coli AlaRS in complex with AMPPCP, Ala-AMP and PCP

PDB-5tlh:
Fructose-1,6-bisphosphate aldolase from rabbit muscle in complex with the inhibitor 2-naphthol 6-bisphosphonate

PDB-5ysp:
Pyrophosphate-dependent kinase in the ribokinase family complexed with a pyrophosphate analog and myo-inositol

PDB-6s83:
Crystal structure of methionine adenosyltransferase from Pyrococcus furiosus in complex with AMPPCP, SAM, and PCP

PDB-7e4l:
Conversion of pyrophosphate-dependent myo-inositol-1 kinase into myo-inositol-3 kinase by N78L/S89L mutation

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