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Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
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L-Threonine
L_threonine synonyms
Threonine; 2-Amino-3-hydroxybutanoic acid, (R-(R*,S*))-; Butanoic acid, 2-amino-3-hydroxy-, (R-(R*,S*))-; THREONINE (L); Threoninum [Latin]; Threonin; Treonina [Spanish]; (S)-Threonine; 2-Amino-3-hydroxybutyric acid; Threonine, L-
Graphical representations:
View large 3D structure
Molecular Formula: C4H9NO3
Natural Isotopic Abundance Mass: 119.1191600000
Mono-Isotopic Molecular Masses:
- C12N14: 119.05824316
- C13N14: 123.071662512
- C12N15: 120.055278054
- C13N15: 124.0686974048
InChI string: InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1
IUPAC: (2S,3R)-2-amino-3-hydroxy-butanoic acid
PubChem Compound (CID): 6288KEGG Compound ID: C00188
CAS Registry number: 13095-55-1 36676-50-3 72-19-5
ChEBI: 16857
NSC: 16589
EINECS: 200-774-1
PDB Compound ID: THR THR_LFOH THR_LFZW
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)