KPL

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Summary

Name:KETOPANTOATE
Synonyms:2-DEHYDROPANTOATE
Formula:C6 H10 O4
Formal charge:0
Molecular weight:146.141 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-hydroxy-3,3-dimethyl-2-oxobutanoic acid
OpenEye OEToolkits1.5.04-hydroxy-3,3-dimethyl-2-oxo-butanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(=O)C(C)(C)CO
SMILES_CANONICALCACTVS3.341CC(C)(CO)C(=O)C(O)=O
SMILESCACTVS3.341CC(C)(CO)C(=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(C)(CO)C(=O)C(=O)O
SMILESOpenEye OEToolkits1.5.0CC(C)(CO)C(=O)C(=O)O
InChIInChI1.03InChI=1S/C6H10O4/c1-6(2,3-7)4(8)5(9)10/h7H,3H2,1-2H3,(H,9,10)
InChIKeyInChI1.03PKVVTUWHANFMQC-UHFFFAOYSA-N
171916
PDB entries from 2020-12-02