Conformations of carnitine and acetylcarnitine and the relationship to mitochondrial transport of fatty acids

W. J. Murray; K. W. Reed; E. B. Roche

doi:10.1016/0022-5193(80)90178-2

Conformations of carnitine and acetylcarnitine and the relationship to mitochondrial transport of fatty acids

W. J. Murray, K. W. Reed, E. B. Roche

Pharmaceutical Science

Research output: Contribution to journal › Article › peer-review

Abstract

The conformations of carnitine and acetylcarnitine by EHT and CNDO/2 molecular orbital calculations show that carnitine has two low energy conformers. One of these is an extended conformer corresponding to a charge separated species, while the other is a folded conformer having a charged onium head and carboxylate anion in close proximity forming an internal ionic bond. These results suggest that the folded conformation is responsible for the active transport of acetyl- and acyl-carnitine by enzymes which transfer acyl groups into the mitochondria for subsequent fatty acid oxidation.

Original language	English (US)
Pages (from-to)	559-572
Number of pages	14
Journal	Journal of Theoretical Biology
Volume	82
Issue number	4
DOIs	https://doi.org/10.1016/0022-5193(80)90178-2
State	Published - Feb 21 1980

ASJC Scopus subject areas

Statistics and Probability
Modeling and Simulation
Biochemistry, Genetics and Molecular Biology(all)
Immunology and Microbiology(all)
Agricultural and Biological Sciences(all)
Applied Mathematics

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10.1016/0022-5193(80)90178-2

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Conformations of carnitine and acetylcarnitine and the relationship to mitochondrial transport of fatty acids

Abstract

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