Bile Acid Amidate Library
(6 Cholates Core Structures)

Comprehensive Reference Standards for Microbiome-Metabolite Research
128 structurally diverse bile acid amidates for LC-MS/MS metabolomics and host-microbiome interaction studies
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7-Oxylithocholic acid amidates for bile acid research

Overview

The Bile Acid Amidate Library provides researchers with a complete collection of 128 high-purity microbially-derived bile acid conjugates, representing a novel class of molecules for gut microbiome research [1][2]. These conjugates are emerging as critical indicators of host-microbiome interactions and show promise for advancing diagnostics and therapeutics in  microbiome-related conditions such as inflammatory bowel disease (IBD).

Secondary bile acids, produced through microbial transformation of liver-derived primary bile acids, exhibit diverse biological activities in mammals. Recent discoveries have revealed hundreds of these compounds, many with undiscovered functions and therapeutic potential. This library enables comprehensive profiling of these metabolites using liquid chromatography-mass spectrometry (LC-MS/MS) platforms.

Product Specifications

Library Contents

  • 128 bile acid amidates across 6 core bile acid structures
  • Conjugates with multiple amino acids including:
  • Glycine and taurine (traditional conjugates)
  • Glutamine, phenylalanine, proline, valine, and additional amino acids
  • Internal standards for quantitative validation

Physical Format

  • Amount: 5 mg per compound (lyophilized dry powder)
  • Packaging: Individual glass vials for convenient handling
  • Estimated concentration: 200 μg/mL (based on glycine and taurine conjugates)
  • Stability: Lyophilized format provides extended shelf life
  • Certificate of Analysis: Available upon request for each batch

Quality Assurance

Our bile acid amidates are synthesized and characterized to the highest standards:
  • High-purity compounds suitable for quantitative analysis
  • Comprehensive structural characterization
  • Batch-specific quality documentation
  • Compatible with GLP/GMP laboratory practices

Core Bile Acid Structures Included

The library encompasses amidates derived from six fundamental bile acid cores, each representing key metabolites in bile acid metabolism:

Core Structure Significance Product Sheet
Cholic Acid (CA) Primary bile acid; most abundant in humans Download PDF
Chenodeoxycholic Acid (CDCA) Primary bile acid; FXR/TGR5 receptor ligand Download PDF
Deoxycholic Acid (DCA) Secondary bile acid; microbial metabolite Download PDF
Lithocholic Acid (LCA) Secondary bile acid; potential biomarker Download PDF
Ursodeoxycholic Acid (UDCA) Therapeutic bile acid; hepatoprotective properties Download PDF
7-Oxolithocholic Acid (7-oxoLCA) Oxidized secondary bile acid Download PDF

Each core structure is conjugated with multiple amines, providing comprehensive coverage of the bile acid amidate metabolome.

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Applications

Metabolomics Studies

  • Quantitative profiling of bile acid amidates in biological samples (serum, plasma, fecal, tissues)
  • Method development and optimization for LC-MS/MS workflows
  • Biomarker discovery in metabolomics pipelines
  • Compound identification via MS/MS fragmentation patterns and retention time matching

Microbiome Research

  • Characterization of host-microbiome metabolic interactions
  • Profiling microbial bile acid transformation activity
  • Investigation of gut microbial ecology and function
  • Correlation studies between microbiome composition and bile acid metabolism

Enzyme Activity Studies

  • Bile salt hydrolase (BSH) activity assessment
  • N-Acyl transferase characterization
  • Screening for bacterial strains with specific bile acid modification capabilities

Disease Research

  • Biomarker identification and validation

Analytical Platforms

Fully Compatible With:

  • LC-MS/MS: UHPLC-QqQ, UPLC-TQD, and similar platforms
  • LC-IMS-MS: Ion mobility spectrometry-coupled systems
  • High-Resolution MS: QTOF, Orbitrap for accurate mass determination
  • Chromatography: HPLC, UHPLC with reversed-phase columns

Common Workflows:

  • Targeted quantitative analysis via multiple reaction monitoring (MRM)
  • Semi-quantitative profiling in untargeted metabolomics
  • Retention time library development
  • MS/MS spectral library construction

Technical Support & Resources

Method Development Assistance

Our technical team can provide guidance on:

  • Optimal LC-MS/MS conditions for bile acid amidate analysis
  • Sample preparation protocols for various matrices
  • Quantification strategies and internal standard selection
  • Data analysis workflows

Documentation Provided

  • Individual compound certificates of analysis
  • Combined product specification sheet
  • MS/MS transition tables
  • Recommended chromatographic conditions
  • Example MRM methods for major platforms

Metabolite Identification Confidence Levels

To ensure rigorous metabolite identification in your research, this library supports the Metabolomics Standards Initiative (MSI) identification framework [3]:

Level 1

Confirmed Identity

Definitive identification through direct comparison with authentic chemical standards under identical analytical conditions.

This library provides Level 1 identification for all 128 compounds through:

  • Retention time matching
  • Accurate mass confirmation
  • MS/MS fragmentation pattern comparison

This represents the “gold standard” for metabolite identification.

Level 2

Probable Identity

High-confidence assignment based on spectral matching to published data or curated databases when authentic standards are unavailable.

Applicable when extending beyond the core library compounds.

Level 3

Putative Identity

Tentative assignment based on spectral characteristics consistent with proposed structures.

Requires additional validation through authentic standards for confirmation.

Download comprehensive spectral data

Bileomix Libraries Level 1-3 Documentation

Ordering Information

  • What's Included:
  • 128 bile acid amidates (5 mg each, lyophilized)
  • Internal standards for method validation
  • Individual glass vial packaging
  • Certificate of Analysis (upon request)
  • Technical support for method development
  • Access to spectral database documentation
Ursodeoxycholic acid amidates for bile acid research
  • Shipping & Storage:

Shipping

Ambient temperature; stable as dry powder

Storage

Store at -20°C for long-term stability

Shelf Life

Refer to batch-specific Certificate of Analysis

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Advance your microbiome research with comprehensive bile acid amidate profiling.

This product is intended for research use only. Not for human diagnostic or therapeutic use.

Frequently Asked Questions

What is the purity of the compounds?
All compounds are synthesized to high purity suitable for use as analytical reference standards. Specific purity data provided in the Certificate of Analysis for each batch.

Please contact our sales team to inquire about individual compound availability and pricing.

Yes. The library is specifically designed for quantitative metabolomics workflows using LC-MS/MS, LC-IMS-MS, and high-resolution mass spectrometry platforms.
The bile acid amidate library is suitable for serum, plasma, urine, fecal extracts, tissue homogenates, and cell culture media.
Yes. We provide recommended MRM transitions and optimized MS parameters for major LC-MS/MS platforms.
Reconstitution protocols are provided with the library. Methanol is typically recommended as the primary solvent. Specific recommendations are available for individual compounds.

Yes. The library is fully compatible with UHPLC, HPLC, and related high-performance chromatography systems.

We offer custom synthesis services for bile acid conjugates and related compounds. Contact our technical team to discuss your specific requirements.

Contact & Support

For orders, technical inquiries, or custom synthesis requests:

  • Email: info@bileomix.com
  • Phone: +1 860-300-8287
  • Hours: Monday-Friday, 9:00 AM - 5:00 PM ET
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Our scientific support team includes PhD-level metabolomics specialists ready to assist with:

  • Method optimization and troubleshooting
  • Custom compound synthesis inquiries
  • Collaborative research opportunities
  • Bulk pricing for large-scale studies

References & Further Reading:

For background on bile acid amidates in microbiome research, see:

  1. Quinn, R.A., Melnik, A.V., Vrbanac, A. et al. Global chemical effects of the microbiome include new bile-acid conjugations. Nature 579, 123–129 (2020). https://doi.org/10.1038/s41586-020-2047-9
  2. Won, T.H., Arifuzzaman, M., Parkhurst, C.N. et al. Host metabolism balances microbial regulation of bile acid signalling. Nature 638, 216–224 (2025). https://doi.org/10.1038/s41586-024-08379-9
  3. Sumner, L. W. et al. Proposed minimum reporting standards for chemical analysis: Chemical Analysis Working Group (CAWG) Metabolomics Standards Initiative (MSI). Metabolomics 3, 211–221 (2007) doi: 10.1007/s11306-007-0082-2.
  4. Robert A. Quinn, Louis-Felix Nothias, Oliver Vining, Michael Meehan, Eduardo Esquenazi, Pieter C. Dorrestein, Molecular Networking As a Drug Discovery, Drug Metabolism, and Precision Medicine Strategy, Trends in Pharmacological Sciences, Volume 38, Issue 2, 2017, Pages 143-154, ISSN 0165-6147, https://doi.org/10.1016/j.tips.2016.10.011.
  5. Ipsita Mohanty, Helena Mannochio-Russo, Joshua V. Schweer, Yasin El Abiead, Wout Bittremieux, Shipei Xing, Robin Schmid, Simone Zuffa, Felipe Vasquez, Valentina B. Muti, Jasmine Zemlin, Omar E. Tovar-Herrera, Sarah Moraïs, Dhimant Desai, Shantu Amin, Imhoi Koo, Christoph W. Turck, Itzhak Mizrahi, Penny M. Kris-Etherton, Kristina S. Petersen, Pieter C. Dorrestein, Cell, Volume 187, Issue 7, 28, 2024, Pages 1801-1818.e20 DOI: 10.1016/j.cell.2024.02.019

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