Abstract
The repertoire of modifications to bile acids and related steroidal lipids by host and microbial metabolism remains incompletely characterized. To address this knowledge gap, we created a reusable resource of tandem mass spectrometry (MS/MS) spectra by filtering 1.2 billion publicly available MS/MS spectra for bile-acid-selective ion patterns. Thousands of modifications are distributed throughout animal and human bodies as well as microbial cultures. We employed this MS/MS library to identify polyamine bile amidates, prevalent in carnivores. They are present in humans, and their levels alter with a diet change from a Mediterranean to a typical American diet. This work highlights the existence of many more bile acid modifications than previously recognized and the value of leveraging public large-scale untargeted metabolomics data to discover metabolites. The availability of a modification-centric bile acid MS/MS library will inform future studies investigating bile acid roles in health and disease.
| Original language | American English |
|---|---|
| Pages (from-to) | 1801-1818.e20 |
| Journal | Cell |
| Volume | 187 |
| Issue number | 7 |
| DOIs | |
| State | Published - 28 Mar 2024 |
Keywords
- GABA
- MassQL
- agmatine
- bile acids
- diet
- fastMASST
- microbial
- polyamines
- putrescine
- spectral resource
All Science Journal Classification (ASJC) codes
- General Biochemistry,Genetics and Molecular Biology