acetic acid   Click here for help

GtoPdb Ligand ID: 1058

Synonyms: acetate | ethanoic acid
PDB Ligand
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 37.3
Molecular weight 60.02
XLogP -0.08
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(=O)O
Isomeric SMILES CC(=O)O
InChI InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
InChI Key QTBSBXVTEAMEQO-UHFFFAOYSA-N
Natural/Endogenous Targets
Target
FFA2 receptor
Enzymes Catalysing Reactions with this Compound as a Substrate or Product
Enzyme EC number Reaction Reference
butyrylcholinesterase
acetylcholinesterase (Cartwright blood group)
Transporters Moving this Compound Across a Lipid Membrane
Transporter EC number Reaction Reference
SMCT1
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
FFA2 receptor Ligand is endogenous in the given species Hs Agonist Full agonist 3.1 – 4.6 pEC50 - 1-4
pEC50 3.1 – 4.6 [1-4]
FFA3 receptor Hs Agonist Full agonist 2.8 – 3.9 pEC50 - 1-2,4-5
pEC50 2.8 – 3.9 [1-2,4-5]
Ligand mentioned in the following text fields