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L-(-)-Threonine
SpectraBase Compound ID 3P78CqmalUC
InChI InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1
InChIKey AYFVYJQAPQTCCC-GBXIJSLDSA-N
Mol Weight 119.12 g/mol
Molecular Formula C4H9NO3
Exact Mass 119.058243 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3SFwt3eE7ME
Name L-Threonine
Acquisition Mode SIMULTANEOUS
CAS Registry Number 13095-55-1 36676-50-3 72-19-5
ChEBI ID 16857
Comments 100 mM L-Threonine - vendor: Sigma t8625; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz (Data collected by Madison Metabolomics Consortium)
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C4H9NO3
IUPAC Name (2S,3R)-2-amino-3-hydroxy-butanoic acid
InChI InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1
InChIKey AYFVYJQAPQTCCC-GBXIJSLDSA-N
KEGG Compound ID C00188
KEGG Pathways PATH: map00260 Glycine, serine and threonine metabolism PATH: map00290 Valine, leucine and isoleucine biosynthesis PATH: map00860 Porphyrin and chlorophyll metabolism PATH: map00970 Aminoacyl-tRNA biosynthesis PATH: map02010 ABC transporters - General
PubChem Compound ID 6288
SMILES CC(C(C(=O)O)N)O
Source File Reference bmse000049