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KMT

Summary
Name:4-(METHYLSULFANYL)-2-OXOBUTANOIC ACID
Formula:C5 H8 O3 S
Formal charge:0
Formula weight:148.18 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-(methylsulfanyl)-2-oxobutanoic acid
OpenEye OEToolkits1.5.04-methylsulfanyl-2-oxo-butanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(=O)CCSC
SMILES_CANONICALCACTVS3.341CSCCC(=O)C(O)=O
SMILESCACTVS3.341CSCCC(=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CSCCC(=O)C(=O)O
SMILESOpenEye OEToolkits1.5.0CSCCC(=O)C(=O)O
InChIInChI1.03InChI=1S/C5H8O3S/c1-9-3-2-4(6)5(7)8/h2-3H2,1H3,(H,7,8)
InChIKeyInChI1.03SXFSQZDSUWACKX-UHFFFAOYSA-N

217705

PDB entries from 2024-03-27

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