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Substrate Report for: Ethyl-4-chloro-3-hydroxybutanoate

Name Class
Ethyl-4-chloro-3-hydroxybutanoateTypeAlkyl ester
Butyrate
Other_Name (5)
Chemical_Nomenclatureethyl 4-chloro-3-hydroxybutanoate
FormulaC6H11ClO3
CAS_number10488-69-4
MW166.60
PaperNakagawa_2006_J.Biosci.Bioeng_101_97
Martinez-Martinez_2018_ACS.Chem.Biol_13_225
CommentOne enzyme convert (S)4-Chloro-3-hydroxybutyrate in the racemate to (S)-3-hydroxy-gamma-butyrolactone through asymmetric dechlorination, hydrolysis, and lactonization. Ethyl (S)-4-chloro-3-hydroxybutyrate is an intermediate for the synthesis of Atorvastatin, a chiral drug used for hypercholesterolemia
CID4377704
FamilyHormone-sensitive_lipase_like
InChIKeyZAJNMXDBJKCCAT-UHFFFAOYSA-N
CanonicalSMILESCCOC(=O)CC(CCl)O
InChIInChI=1S/C6H11ClO3/c1-2-10-6(9)3-5(8)4-7/h5,8H,2-4H2,1H3

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Mail to: Nicolas Lenfant, Thierry Hotelier, Yves Bourne, Pascale Marchot and Arnaud Chatonnet.
Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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