methylmalonic acid   Click here for help

GtoPdb Ligand ID: 9633

PDB Ligand
Compound class: Synthetic organic
Comment: Succinate receptor agonist
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 74.6
Molecular weight 118.03
XLogP -0.09
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(C(=O)O)C(=O)O
Isomeric SMILES CC(C(=O)O)C(=O)O
InChI InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)
InChI Key ZIYVHBGGAOATLY-UHFFFAOYSA-N
References
1. Geubelle P, Gilissen J, Dilly S, Poma L, Dupuis N, Laschet C, Abboud D, Inoue A, Jouret F, Pirotte B et al.. (2017)
Identification and pharmacological characterization of succinate receptor agonists.
Br J Pharmacol, 174 (9): 796-808. [PMID:28160606]
2. He W, Miao FJ, Lin DC, Schwandner RT, Wang Z, Gao J, Chen JL, Tian H, Ling L. (2004)
Citric acid cycle intermediates as ligands for orphan G-protein-coupled receptors.
Nature, 429 (6988): 188-93. [PMID:15141213]