The Underappreciated Diversity of Bile Acid Modifications
101 Pages Posted: 3 May 2023 Publication Status: Review CompleteMore...
The repertoire of modifications on bile acids and related steroidal lipids furnished by host and microbial metabolism remains incompletely characterized. To address this knowledge gap, we created a reusable resource of candidate tandem mass spectrometry (MS/MS) spectra by filtering approximately 1.2 billion publicly available MS/MS spectra bile acid-specific MS/MS ion patterns. The thousands of different modifications are distributed throughout animal bodies, including humans, and microbial cultures. We employed this MS/MS library to identify bile acids amidated with polyamines, which were prevalent in carnivores and individuals with inflammatory bowel disease or sleep/circadian disruption. This work not only highlights the existence of many more bile acid modifications than previously recognized but also the value of leveraging public large-scale untargeted metabolomics data as an alternative approach to discovering new metabolites. The availability of a modification-centric bile acid MS/MS library will facilitate future studies investigating the roles of bile acids in health and disease.
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