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- ChemComp-POA: PHOSPHONOACETALDEHYDE -

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Basic information

EntryDatabase: PDB chemical components / ID: POA
NameName: phosphonoacetaldehyde

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Chemical information

Composition
Formula: C2H5O4P / Number of atoms: 12 / Formula weight: 124.032 / Formal charge: 0
Others

1m32

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: POA / Model coordinates PDB-ID: 1M32
History
Create componentJul 12, 2002
Modify descriptorJun 4, 2011
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

ACDLabs 10.04O=CCP(=O)(O)O
CACTVS 3.341O[P](O)(=O)CC=O
OpenEye OEToolkits 1.5.0C(C=O)P(=O)(O)O

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SMILES CANONICAL

CACTVS 3.341O[P](O)(=O)CC=O
OpenEye OEToolkits 1.5.0C(C=O)P(=O)(O)O

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InChI

InChI 1.03InChI=1S/C2H5O4P/c3-1-2-7(4,5)6/h1H,2H2,(H2,4,5,6)

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InChIKey

InChI 1.03YEMKIGUKNDOZEG-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(2-oxoethyl)phosphonic acid
OpenEye OEToolkits 1.5.02-oxoethylphosphonic acid

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PDB entries

Showing all 5 items

PDB-1m32:
Crystal Structure of 2-aminoethylphosphonate Transaminase

PDB-1sww:
Crystal structure of the phosphonoacetaldehyde hydrolase D12A mutant complexed with magnesium and substrate phosphonoacetaldehyde

PDB-4i3u:
Structure of phosphonoacetaldehyde dehydrogenase in complex with phosphonoacetaldehyde

PDB-4i3v:
Structure of phosphonoacetaldehyde dehydrogenase in complex with phosphonoacetaldehyde and cofactor NAD+

PDB-5dvp:
Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with Doripenem adduct

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