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- ChemComp-MSF: [METHYLSELENO]ACETATE -

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Basic information

EntryDatabase: PDB chemical components / ID: MSF
NameName: [methylseleno]acetate

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Chemical information

Composition
Formula: C3H5O2Se / Number of atoms: 11 / Formula weight: 152.031 / Formal charge: -1
Others

1el8

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: MSF / Model coordinates PDB-ID: 1EL8
History
Create componentMar 27, 2000
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / DrugBank / 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

ACDLabs 10.04[O-]C(=O)C[Se]C
CACTVS 3.341C[Se]CC([O-])=O
OpenEye OEToolkits 1.5.0C[Se]CC(=O)[O-]

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C3H6O2Se/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)/p-1

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InChIKey

InChI 1.03UOULLTHLSZQUIN-UHFFFAOYSA-M

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SYSTEMATIC NAME

ACDLabs 10.04(methylselanyl)acetate
OpenEye OEToolkits 1.5.02-methylselanylethanoate

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PDB entries

Showing all 1 items

PDB-1el8:
COMPLEX OF MONOMERIC SARCOSINE OXIDASE WITH THE INHIBITOR [METHYLSELENO]CETATE

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