L-threonine   Click here for help

GtoPdb Ligand ID: 4785

Abbreviated name: L-Thr
PDB Ligand
2D Structure
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Physico-chemical Properties
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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
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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 Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
(2S,3R)-2-amino-3-hydroxybutanoic acid
International Nonproprietary Names Click here for help
INN number INN
6172 threonine
Database Links Click here for help
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
Search Google for chemical match using the InChIKey AYFVYJQAPQTCCC-GBXIJSLDSA-N
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Search PubMed clinical trials threonine
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Search UniChem for chemical match using the InChIKey AYFVYJQAPQTCCC-GBXIJSLDSA-N
Search UniChem for chemicals with the same backbone AYFVYJQAPQTCCC
Wikipedia L-threonine