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- ChemComp-KMT: 4-(METHYLSULFANYL)-2-OXOBUTANOIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: KMT
NameName: 4-(methylsulfanyl)-2-oxobutanoic acid

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Chemical information

Composition
Formula: C5H8O3S / Number of atoms: 17 / Formula weight: 148.18 / Formal charge: 0
Others

1v2e

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: KMT / Model coordinates PDB-ID: 1V2E
History
Create componentOct 20, 2003
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 10.04O=C(O)C(=O)CCSC
CACTVS 3.341CSCCC(=O)C(O)=O
OpenEye OEToolkits 1.5.0CSCCC(=O)C(=O)O

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SMILES CANONICAL

CACTVS 3.341CSCCC(=O)C(O)=O
OpenEye OEToolkits 1.5.0CSCCC(=O)C(=O)O

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InChI

InChI 1.03InChI=1S/C5H8O3S/c1-9-3-2-4(6)5(7)8/h2-3H2,1H3,(H,7,8)

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InChIKey

InChI 1.03SXFSQZDSUWACKX-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.044-(methylsulfanyl)-2-oxobutanoic acid
OpenEye OEToolkits 1.5.04-methylsulfanyl-2-oxo-butanoic acid

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PDB entries

Showing all 6 items

PDB-1v2e:
Crystal Structure of T.th HB8 Glutamine Aminotransferase complex with a-keto-g-methylthiobutyrate

PDB-4lce:
CtBP1 in complex with substrate MTOB

PDB-4lcj:
CtBP2 in complex with substrate MTOB

PDB-5i8y:
Structure of Mouse Acireductone Dioxygenase bound to Co2+ and 2-keto-4-(methylthio)-butyric acid

PDB-5i91:
Structure of Mouse Acirecutone dioxygenase with to Ni2+ and 2-keto-4-(methylthio)-butyric acid in the active site

PDB-6e1j:
Crystal Structure of Methylthioalkylmalate Synthase (BjuMAM1.1) from Brassica juncea

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