L-threonine   

GtoPdb Ligand ID: 4785

Abbreviated name: L-Thr
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 83.55
Molecular weight 119.06
XLogP -3.5
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CC(C(C(=O)O)N)O
Isomeric SMILES C[C@H]([C@@H](C(=O)O)N)O
InChI InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1
InChI Key AYFVYJQAPQTCCC-GBXIJSLDSA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
(2S,3R)-2-amino-3-hydroxybutanoic acid
International Nonproprietary Names
INN number INN
6172 threonine
Database Links
CAS Registry No. 72-19-5 (source: Scifinder)
ChEBI CHEBI:16857
ChEMBL Ligand CHEMBL291747
DrugBank Ligand DB00156
DrugCentral Ligand 4254
GtoPdb PubChem SID 178101487
Immunopaedia Search threonine
PubChem CID 6288
RCSB PDB Ligand THR
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Search UniChem for chemical match using the InChIKey AYFVYJQAPQTCCC-GBXIJSLDSA-N
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Wikipedia L-threonine