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- ChemComp-FW6: (3-ethylphenyl) dihydrogen phosphate -

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Basic information

EntryDatabase: PDB chemical components / ID: FW6
NameName: (3-ethylphenyl) dihydrogen phosphate

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Chemical information

Composition
Formula: C8H11O4P / Number of atoms: 24 / Formula weight: 202.144 / Formal charge: 0
Others

7ccf

Type: non-polymer / PDB classification: HETAIN / Three letter code: FW6 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7CCF
History
Create componentJun 24, 2020
Initial releaseMar 17, 2021
External linksUniChem / ChemSpider / 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 3.385CCc1cccc(O[P](O)(O)=O)c1
OpenEye OEToolkits 2.0.7CCc1cccc(c1)OP(=O)(O)O

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SMILES CANONICAL

CACTVS 3.385CCc1cccc(O[P](O)(O)=O)c1
OpenEye OEToolkits 2.0.7CCc1cccc(c1)OP(=O)(O)O

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InChI

InChI 1.03InChI=1S/C8H11O4P/c1-2-7-4-3-5-8(6-7)12-13(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)

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InChIKey

InChI 1.03IEFUTYQGHXXRLJ-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7ccf:
Mechanism insights on steroselective oxidation of phosphorylated ethylphenols with cytochrome P450 CreJ

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