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- ChemComp-ALK: methoxy-[(1~{R})-1-oxidanylethyl]phosphinic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: ALK
NameName: methoxy-[(1~{R})-1-oxidanylethyl]phosphinic acid

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Chemical information

Composition
Formula: C3H9O4P / Number of atoms: 17 / Formula weight: 140.075 / Formal charge: 0
Others

2vjy

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: ALK / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2VJY
History
Create componentDec 14, 2007
Modify descriptorJun 4, 2011
Other modificationSep 26, 2018
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 3.385CO[P](O)(=O)[CH](C)O
OpenEye OEToolkits 2.0.6CC(O)P(=O)(O)OC

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C3H9O4P/c1-3(4)8(5,6)7-2/h3-4H,1-2H3,(H,5,6)/t3-/m1/s1

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InChIKey

InChI 1.03BAMHLGPGGHPFTF-GSVOUGTGSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.6methoxy-[(1~{R})-1-oxidanylethyl]phosphinic acid

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PDB entries

Showing all 1 items

PDB-2vjy:
Pyruvate decarboxylase from Kluyveromyces lactis in complex with the substrate analogue methyl acetylphosphonate

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