Molecule ID: 91825568

IUPAC Name: 3-(4-carboxy-3-methylbutanoyl)oxy-4-(trimethylazaniumyl)butanoate

Description: The molecule is an O-methylglutarylcarnitine compound having 3-methylglutaryl as the acyl substituent. It has a role as a metabolite. It derives from a 3-methylglutaric acid.

SMILES: CC(CC(=O)O)CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C

SELFIES: [C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][N+1][Branch1][C][C][Branch1][C][C][C]

InChI: InChI=1S/C13H23NO6/c1-9(5-11(15)16)6-13(19)20-10(7-12(17)18)8-14(2,3)4/h9-10H,5-8H2,1-4H3,(H-,15,16,17,18)

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: 0.6