Molecule ID: 121871

IUPAC Name: 3,3,14,14-tetramethylhexadecanedioic acid

Description: The molecule is an alpha,omega-dicarboxylic acid that is hexadecanedioic acid carrying methyl groups at positions 3 and 14. It is a free fatty acid 1 (FFA1/GPR40) receptor agonist and an ATP citrate lyase inhibitor, and exhibits hypolipidemic and antidiabetogenic properties. It has a role as an antilipemic drug, an EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor, an EC 2.3.3.8 (ATP citrate synthase) inhbitor, a G-protein-coupled receptor agonist and a hypoglycemic agent.

SMILES: CC(C)(CCCCCCCCCCC(C)(C)CC(=O)O)CC(=O)O

SELFIES: [C][C][Branch1][C][C][Branch2][Ring1][Branch2][C][C][C][C][C][C][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C20H38O4/c1-19(2,15-17(21)22)13-11-9-7-5-6-8-10-12-14-20(3,4)16-18(23)24/h5-16H2,1-4H3,(H,21,22)(H,23,24)

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: 7.0