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- ChemComp-U8Z: [(~{E})-2,3-bis(oxidanyl)prop-1-enyl] dihydrogen phosphate -

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Basic information

EntryDatabase: PDB chemical components / ID: U8Z
NameName: [(~{E})-2,3-bis(oxidanyl)prop-1-enyl] dihydrogen phosphate

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Chemical information

Composition
Formula: C3H7O6P / Number of atoms: 17 / Formula weight: 170.058 / Formal charge: 0
Others

7ne2

Type: non-polymer / PDB classification: HETAIN / Three letter code: U8Z / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7NE2
History
Create componentFeb 3, 2021
Initial releaseApr 14, 2021
External linksUniChem / ChemSpider / 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 3.385OCC(O)=CO[P](O)(O)=O
OpenEye OEToolkits 2.0.7C(C(=COP(=O)(O)O)O)O

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SMILES CANONICAL

CACTVS 3.385OC\C(O)=C/O[P](O)(O)=O
OpenEye OEToolkits 2.0.7C(/C(=C\OP(=O)(O)O)/O)O

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InChI

InChI 1.03InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h2,4-5H,1H2,(H2,6,7,8)/b3-2+

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InChIKey

InChI 1.03MCQBMKDEIFHCJL-NSCUHMNNSA-N

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PDB entries

Showing all 1 items

PDB-7ne2:
Crystal structure of class I SFP aldolase YihT from Salmonella enterica with SFP/ DHAP (Schiff base complex with active site Lys193)

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