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- ChemComp-MTG: [METHYLTHIO]ACETATE -

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Basic information

EntryDatabase: PDB chemical components / ID: MTG
NameName: [methylthio]acetate

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Chemical information

Composition
Formula: C3H5O2S / Number of atoms: 11 / Formula weight: 105.136 / Formal charge: -1
Others

1el9

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: MTG / Model coordinates PDB-ID: 1EL9
History
Create componentMar 27, 2000
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 10.04[O-]C(=O)CSC
CACTVS 3.341CSCC([O-])=O
OpenEye OEToolkits 1.5.0CSCC(=O)[O-]

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SMILES CANONICAL

CACTVS 3.341CSCC([O-])=O
OpenEye OEToolkits 1.5.0CSCC(=O)[O-]

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InChI

InChI 1.03InChI=1S/C3H6O2S/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)/p-1

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InChIKey

InChI 1.03HGTBAIVLETUVCG-UHFFFAOYSA-M

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SYSTEMATIC NAME

ACDLabs 10.04(methylsulfanyl)acetate
OpenEye OEToolkits 1.5.02-methylsulfanylethanoate

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PDB entries

Showing all 4 items

PDB-1el9:
COMPLEX OF MONOMERIC SARCOSINE OXIDASE WITH THE INHIBITOR [METHYLTHIO]ACETATE

PDB-3ad7:
Heterotetrameric Sarcosine Oxidase from Corynebacterium sp. U-96 in complex with methylthio acetate

PDB-3qss:
Crystal structure for the MSOX.chloride.MTA ternary complex

PDB-8td6:
Structure of PYCR1 complexed with NADH and 2-(Methylthio)acetic acid

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