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- ChemComp-E9E: 1-[methoxy(methyl)phosphoryl]oxyethane -

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Basic information

EntryDatabase: PDB chemical components / ID: E9E
NameName: 1-[methoxy(methyl)phosphoryl]oxyethane

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Chemical information

Composition
Formula: C4H11O3P / Number of atoms: 19 / Formula weight: 138.102 / Formal charge: 0
Others

6fwe

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: E9E / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6FWE
History
Create componentMar 6, 2018
Initial releaseMar 27, 2019
External linksUniChem / ChemSpider / PubChem / 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](C)(=O)OC
OpenEye OEToolkits 2.0.6CCOP(=O)(C)OC

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SMILES CANONICAL

CACTVS 3.385CCO[P@@](C)(=O)OC
OpenEye OEToolkits 2.0.6CCO[P@](=O)(C)OC

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InChI

InChI 1.03InChI=1S/C4H11O3P/c1-4-7-8(3,5)6-2/h4H2,1-3H3/t8-/m0/s1

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InChIKey

InChI 1.03YDVMILOIKRSPEO-QMMMGPOBSA-N

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PDB entries

Showing all 1 items

PDB-6fwe:
Phosphotriesterase PTE_C23_6

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