citric acid   Click here for help

GtoPdb Ligand ID: 2478

Synonyms: citrate
PDB Ligand
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 5
Topological polar surface area 132.13
Molecular weight 192.03
XLogP -2.25
No. Lipinski's rules broken 0
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Canonical SMILES OC(=O)C(CC(=O)O)(CC(=O)O)O
Isomeric SMILES OC(=O)C(CC(=O)O)(CC(=O)O)O
InChI InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
Transporters Moving this Compound Across a Lipid Membrane
Transporter EC number Reaction Reference
Na+/dicarboxylate cotransporter 1
Na+/dicarboxylate cotransporter 3
Na+/citrate cotransporter
Mitochondrial citrate transporter
Selectivity at ion channels
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
TRPV4 Mm Activator Agonist 5.6 pEC50 - 2
pEC50 5.6 [2]
Voltage: 0.0 mV
TRPP2 Hs Activator Agonist 1.7 pEC50 1.5x10-2 - 3x10-2 1
pEC50 1.7 Conc range: 1.5x10-2 - 3x10-2 M [1]
Voltage: Physiological
Ligand mentioned in the following text fields