choline   Click here for help

GtoPdb Ligand ID: 4551

PDB Ligand
Comment: Choline is a component of several INN-assigned drugs
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 20.23
Molecular weight 104.11
XLogP -0.84
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OCC[N+](C)(C)C
Isomeric SMILES OCC[N+](C)(C)C
InChI InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
InChI Key OEYIOHPDSNJKLS-UHFFFAOYSA-N
Enzymes Catalysing Reactions with this Compound as a Substrate or Product
Enzyme EC number Reaction Reference
choline O-acetyltransferase
butyrylcholinesterase
acetylcholinesterase (Cartwright blood group)
Transporters Moving this Compound Across a Lipid Membrane
Transporter EC number Reaction Reference
Choline transporter-like 1
Vesicular acetylcholine transporter 1-2
CHT
Organic cation transporter 1
Choline transporter-like 2
Ligand mentioned in the following text fields