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- ChemComp-ELT: ethoxy-~{N},~{N}-dimethyl-phosphonamidic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: ELT
NameName: ethoxy-~{N},~{N}-dimethyl-phosphonamidic acid

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Chemical information

Composition
Formula: C4H12NO3P / Number of atoms: 21 / Formula weight: 153.117 / Formal charge: 0
Others

6g4o

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: ELT / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6G4O
History
Create componentMar 28, 2018
Initial releaseAug 29, 2018
External linksUniChem / ChemSpider / Brenda / Nikkaji / PubChem / SureChEMBL / 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 3.385CCO[P](O)(=O)N(C)C
OpenEye OEToolkits 2.0.6CCOP(=O)(N(C)C)O

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SMILES CANONICAL

CACTVS 3.385CCO[P](O)(=O)N(C)C
OpenEye OEToolkits 2.0.6CCOP(=O)(N(C)C)O

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InChI

InChI 1.03InChI=1S/C4H12NO3P/c1-4-8-9(6,7)5(2)3/h4H2,1-3H3,(H,6,7)

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InChIKey

InChI 1.03ZAMDBRIEKCKJBM-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.6ethoxy-~{N},~{N}-dimethyl-phosphonamidic acid

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PDB entries

Showing all 4 items

PDB-6g4o:
Non-aged form of Torpedo californica acetylcholinesterase inhibited by tabun analog NEDPA bound to uncharged reactivator 1

PDB-6g4p:
Non-aged form of Torpedo californica acetylcholinesterase inhibited by tabun analog NEDPA bound to uncharged reactivator 2

PDB-6wuv:
Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by GA

PDB-6wuy:
Crystal Structure of Recombinant Human Acetylcholinesterase In Complex with GA and HI-6

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