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ALO

Summary
Name:ALLO-THREONINE
Formula:C4 H9 N O3
Formal charge:0
Formula weight:119.119 Da
Component type:L-PEPTIDE LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.04L-allothreonine
OpenEye OEToolkits1.5.0(2S,3S)-2-amino-3-hydroxy-butanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(N)C(O)C
SMILES_CANONICALCACTVS3.341C[C@H](O)[C@H](N)C(O)=O
SMILESCACTVS3.341C[CH](O)[CH](N)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@@H]([C@@H](C(=O)O)N)O
SMILESOpenEye OEToolkits1.5.0CC(C(C(=O)O)N)O
InChIInChI1.03InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m0/s1
InChIKeyInChI1.03AYFVYJQAPQTCCC-HRFVKAFMSA-N

217157

PDB entries from 2024-03-13

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