L-threonine   Click here for help

GtoPdb Ligand ID: 4785

Abbreviated name: L-Thr
PDB Ligand
Compound class: Metabolite
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
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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
Transporters Moving this Compound Across a Lipid Membrane
Transporter EC number Reaction Reference
Alanine/serine/cysteine transporter 1
Alanine/serine/cysteine transporter 2
B0AT1 2
B0AT2 2
sodium-coupled neutral amino acid transporter 1 1
sodium-coupled neutral amino acid transporter 2 3
Additional information and targets (data relate to human unless otherwise stated)
Description Data Reference
Ligand mentioned in the following text fields