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- ChemComp-EFS: ETHYL DIHYDROGEN PHOSPHATE -

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Open data


ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: EFS
NameName: ethyl dihydrogen phosphate

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Chemical information

Composition
Formula: C2H7O4P / Number of atoms: 14 / Formula weight: 126.048 / Formal charge: 0
Others

1p6b

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: EFS / Model coordinates PDB-ID: 1P6B
History
Create componentApr 30, 2003
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / ChEBI / ChemicalBook / CompTox / DrugBank / HMDB / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / 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 10.04O=P(O)(O)OCC
CACTVS 3.341CCO[P](O)(O)=O
OpenEye OEToolkits 1.5.0CCOP(=O)(O)O

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C2H7O4P/c1-2-6-7(3,4)5/h2H2,1H3,(H2,3,4,5)

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InChIKey

InChI 1.03ZJXZSIYSNXKHEA-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04ethyl dihydrogen phosphate
OpenEye OEToolkits 1.5.0ethyl dihydrogen phosphate

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PDB entries

Showing all 6 items

PDB-1p6b:
X-ray structure of phosphotriesterase, triple mutant H254G/H257W/L303T

PDB-1xlv:
Ethylphosphorylated Butyrylcholinesterase (Aged) Obtained By Reaction With Echothiophate

PDB-2wsl:
Aged Form of Human Butyrylcholinesterase Inhibited by Tabun Analogue TA4

PDB-3cak:
X-ray structure of WT PTE with ethyl phosphate

PDB-5hf6:
Crystal structure of human acetylcholinesterase in complex with paraoxon in the aged state

PDB-5hf8:
Crystal structure of human acetylcholinesterase in complex with paraoxon (alternative acyl loop conformation)

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