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
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-methylpropanedioic acid
Database Links Click here for help
Specialist databases
GPCRdb Ligand methylmalonic acid
Other databases
GtoPdb PubChem SID 340590263
LIPID MAPS LMFA01170118
PubChem CID 487
RCSB PDB Ligand DXX
Search Google for chemical match using the InChIKey ZIYVHBGGAOATLY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZIYVHBGGAOATLY
UniChem Compound Search for chemical match using the InChIKey ZIYVHBGGAOATLY-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey ZIYVHBGGAOATLY-UHFFFAOYSA-N

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Tocris
Methylmalonate (links to external site)
Cat. No. 4979