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- ChemComp-CP5: (2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-2-PHENYLACRYLATE -

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Basic information

EntryDatabase: PDB chemical components / ID: CP5
NameName: (2Z)-3-{[oxido(oxo)phosphino]oxy}-2-phenylacrylate

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Chemical information

Composition
Formula: C9H6O5P / Number of atoms: 21 / Formula weight: 225.115 / Formal charge: -1
Others

1scw

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: CP5 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1SCW
History
Create componentMar 3, 2004
Modify descriptorJun 4, 2011
Modify descriptorJan 5, 2012
Modify coordinatesJan 5, 2012
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=C([O-])\C(=C/OP(=O)=O)c1ccccc1
CACTVS 3.385[O-]C(=O)C(=CO[P](=O)=O)c1ccccc1
OpenEye OEToolkits 1.7.5c1ccc(cc1)C(=COP(=O)=O)C(=O)[O-]

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SMILES CANONICAL

CACTVS 3.385[O-]C(=O)C(=C\O[P](=O)=O)/c1ccccc1
OpenEye OEToolkits 1.7.5c1ccc(cc1)/C(=C/OP(=O)=O)/C(=O)[O-]

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InChI

InChI 1.03InChI=1S/C9H7O5P/c10-9(11)8(6-14-15(12)13)7-4-2-1-3-5-7/h1-6H,(H,10,11)/p-1/b8-6-

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InChIKey

InChI 1.03WSMRUPUEYOBWRC-VURMDHGXSA-M

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SYSTEMATIC NAME

ACDLabs 10.04(2Z)-3-{[oxido(oxo)phosphanyl]oxy}-2-phenylprop-2-enoate
OpenEye OEToolkits 1.5.0(Z)-2-phenyl-3-phosphooxy-prop-2-enoate

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PDB entries

Showing all 1 items

PDB-1scw:
TOWARD BETTER ANTIBIOTICS: CRYSTAL STRUCTURE OF R61 DD-PEPTIDASE INHIBITED BY A NOVEL MONOCYCLIC PHOSPHATE INHIBITOR

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