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Obsolete: LLA

LLA was replaced with HFA on
Summary
Name:L-2-HYDROXY-3-PHENYL-PROPIONIC ACID
Formula:C9 H10 O3
Formal charge:0
Formula weight:166.174 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2S)-2-hydroxy-3-phenylpropanoic acid
OpenEye OEToolkits1.5.0(2S)-2-hydroxy-3-phenyl-propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(O)Cc1ccccc1
InChIInChI1.02bInChI=1/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m0/s1/f/h11H
InChIKeyInChI1.02bVOXXWSYKYCBWHO-KMJKUPBBDH
SMILES_CANONICALCACTVS3.341O[C@@H](Cc1ccccc1)C(O)=O
SMILESCACTVS3.341O[CH](Cc1ccccc1)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)C[C@@H](C(=O)O)O
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)CC(C(=O)O)O

223532

PDB entries from 2024-08-07

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