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- ChemComp-GD7: (1R)-1,2,2-TRIMETHYLPROPYL (R)-METHYLPHOSPHINATE -

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Basic information

EntryDatabase: PDB chemical components / ID: GD7
NameName: (1R)-1,2,2-trimethylpropyl (R)-methylphosphinate

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Chemical information

Composition
Formula: C7H17O2P / Number of atoms: 27 / Formula weight: 164.182 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: GD7
History
Create componentJul 27, 2006
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / DrugBank / PubChem / ZINC / 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=P(OC(C)C(C)(C)C)C
CACTVS 3.341C[CH](O[PH](C)=O)C(C)(C)C
OpenEye OEToolkits 1.5.0CC(C(C)(C)C)OP(=O)C

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C7H17O2P/c1-6(7(2,3)4)9-10(5)8/h6,10H,1-5H3/t6-/m1/s1

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InChIKey

InChI 1.03QZUGWOMGKDLYKO-ZCFIWIBFSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(1R)-1,2,2-trimethylpropyl (R)-methylphosphinate
OpenEye OEToolkits 1.5.0(3R)-2,2-dimethyl-3-methylphosphonoyloxy-butane

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PDB entries

Showing all 3 items

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Crystal structure of Human Liver Carboxylesterase 1 (hCE1) in covalent complex with the nerve agent Soman (GD)

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Crystal Structure of Bovin Brain Platelet Activating Factor Acetylhydrolase Covalently Inhibited by Soman

PDB-3f97:
Crystal structure of human plasma platelet activating factor acetylhydrolase covalently inhibited by soman

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