Dataset Information

Stable Isotope-Assisted Metabolomics for Deciphering Xenobiotic Metabolism in Mammalian Cell Culture

ABSTRACT: Xenobiotics are ubiquitous in the environment and modified abundantly in the human body by phase I and II metabolism. Liquid chromatography coupled to high resolution mass spectrometry is a powerful tool to investigate these biotransformation products. Here, we present a workflow based on stable isotope-assisted metabolomics and the bioinformatics tool MetExtract II for deciphering all measureable xenobiotic metabolites produced by human cells in vitro in an untargeted manner. The value of this workflow is demonstrated by the detailed investigation of the metabolism of deoxynivalenol (DON), an abundant food contaminant, in two cell models (HepG2, HT29). Detected known metabolites included DON-3-sulfate, DON-10-sulfonate, and DON-10-glutathione as well as DON-cysteine. Conjugation with amino acids and antibiotics was observed and confirmed for the first time. The approach allows for the generic and untargeted elucidation of human xenobiotic products in tissue culture. It may be easily applied to other fields of research including drug metabolism, personalized medicine and systems biology and serves to better understand the relevance of in vitro experiments.

OTHER RELATED OMICS DATASETS IN: PXD006204

INSTRUMENT(S): Liquid Chromatography MS - negative - reverse phase, Liquid Chromatography MS - positive - reverse phase

SUBMITTER: Mira Flasch

PROVIDER: MTBLS1358 | MetaboLights | 2020-04-14

REPOSITORIES: MetaboLights

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Dataset's files

Source:

			Action	DRS
	MTBLS1358	Other
	FILES	Other
	a_MTBLS1358_LC-MS_negative_reverse-phase_metabolite_profiling.txt	Txt
	a_MTBLS1358_LC-MS_positive_reverse-phase_metabolite_profiling.txt	Txt
	i_Investigation.txt	Txt

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Publications

Stable Isotope-Assisted Metabolomics for Deciphering Xenobiotic Metabolism in Mammalian Cell Culture.

Flasch Mira M Bueschl Christoph C Woelflingseder Lydia L Schwartz-Zimmermann Heidi E HE Adam Gerhard G Schuhmacher Rainer R Marko Doris D Warth Benedikt B

ACS chemical biology 20200325 4

Xenobiotics are ubiquitous in the environment and modified in the human body by phase I and II metabolism. Liquid chromatography coupled to high resolution mass spectrometry is a powerful tool to investigate these biotransformation products. We present a workflow based on stable isotope-assisted metabolomics and the bioinformatics tool MetExtract II for deciphering xenobiotic metabolites produced by human cells. Its potential was demonstrated by the investigation of the metabolism of deoxynivale ...[more]

PMID: 32167285

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