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- ChemComp-RF7: {(2R)-4-[hydroxy(methyl)amino]-4-oxo-2-phenylbutyl}phosphonic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: RF7
NameName: {(2R)-4-[hydroxy(methyl)amino]-4-oxo-2-phenylbutyl}phosphonic acid

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Chemical information

Composition
Formula: C11H16NO5P / Number of atoms: 34 / Formula weight: 273.222 / Formal charge: 0
Others

4y6r

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: RF7 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4Y6R
History
Create componentFeb 13, 2015
Initial releaseApr 1, 2015
External linksUniChem / ChemSpider / PubChem / 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 12.01O=P(O)(O)CC(c1ccccc1)CC(=O)N(O)C
CACTVS 3.385CN(O)C(=O)C[CH](C[P](O)(O)=O)c1ccccc1
OpenEye OEToolkits 1.9.2CN(C(=O)CC(CP(=O)(O)O)c1ccccc1)O

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SMILES CANONICAL

CACTVS 3.385CN(O)C(=O)C[C@@H](C[P](O)(O)=O)c1ccccc1
OpenEye OEToolkits 1.9.2CN(C(=O)C[C@@H](CP(=O)(O)O)c1ccccc1)O

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InChI

InChI 1.03InChI=1S/C11H16NO5P/c1-12(14)11(13)7-10(8-18(15,16)17)9-5-3-2-4-6-9/h2-6,10,14H,7-8H2,1H3,(H2,15,16,17)/t10-/m0/s1

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InChIKey

InChI 1.03RGWBBKVQKPJVGW-JTQLQIEISA-N

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SYSTEMATIC NAME

ACDLabs 12.01{(2R)-4-[hydroxy(methyl)amino]-4-oxo-2-phenylbutyl}phosphonic acid
OpenEye OEToolkits 1.9.2[(2R)-4-[methyl(oxidanyl)amino]-4-oxidanylidene-2-phenyl-butyl]phosphonic acid

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PDB entries

Showing all 1 items

PDB-4y6r:
Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC137, and manganese

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