The human urine metabolome.

Urine has long been a "favored" biofluid among metabolomics researchers. It is sterile, easy-to-obtain in large volumes, largely free from interfering proteins or lipids and chemically complex. However, this chemical complexity has also made urine a particularly difficult substrate to full...

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Autores principales:	Souhaila Bouatra, Farid Aziat, Rupasri Mandal, An Chi Guo, Michael R Wilson, Craig Knox, Trent C Bjorndahl, Ramanarayan Krishnamurthy, Fozia Saleem, Philip Liu, Zerihun T Dame, Jenna Poelzer, Jessica Huynh, Faizath S Yallou, Nick Psychogios, Edison Dong, Ralf Bogumil, Cornelia Roehring, David S Wishart
Formato:	article
Lenguaje:	EN
Publicado:	Public Library of Science (PLoS) 2013
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/7c98e2038b39406aab29f536252abb90
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spelling	oai:doaj.org-article:7c98e2038b39406aab29f536252abb902021-11-18T08:56:59ZThe human urine metabolome.1932-620310.1371/journal.pone.0073076https://doaj.org/article/7c98e2038b39406aab29f536252abb902013-01-01T00:00:00Zhttps://www.ncbi.nlm.nih.gov/pmc/articles/pmid/24023812/?tool=EBIhttps://doaj.org/toc/1932-6203Urine has long been a "favored" biofluid among metabolomics researchers. It is sterile, easy-to-obtain in large volumes, largely free from interfering proteins or lipids and chemically complex. However, this chemical complexity has also made urine a particularly difficult substrate to fully understand. As a biological waste material, urine typically contains metabolic breakdown products from a wide range of foods, drinks, drugs, environmental contaminants, endogenous waste metabolites and bacterial by-products. Many of these compounds are poorly characterized and poorly understood. In an effort to improve our understanding of this biofluid we have undertaken a comprehensive, quantitative, metabolome-wide characterization of human urine. This involved both computer-aided literature mining and comprehensive, quantitative experimental assessment/validation. The experimental portion employed NMR spectroscopy, gas chromatography mass spectrometry (GC-MS), direct flow injection mass spectrometry (DFI/LC-MS/MS), inductively coupled plasma mass spectrometry (ICP-MS) and high performance liquid chromatography (HPLC) experiments performed on multiple human urine samples. This multi-platform metabolomic analysis allowed us to identify 445 and quantify 378 unique urine metabolites or metabolite species. The different analytical platforms were able to identify (quantify) a total of: 209 (209) by NMR, 179 (85) by GC-MS, 127 (127) by DFI/LC-MS/MS, 40 (40) by ICP-MS and 10 (10) by HPLC. Our use of multiple metabolomics platforms and technologies allowed us to identify several previously unknown urine metabolites and to substantially enhance the level of metabolome coverage. It also allowed us to critically assess the relative strengths and weaknesses of different platforms or technologies. The literature review led to the identification and annotation of another 2206 urinary compounds and was used to help guide the subsequent experimental studies. An online database containing the complete set of 2651 confirmed human urine metabolite species, their structures (3079 in total), concentrations, related literature references and links to their known disease associations are freely available at http://www.urinemetabolome.ca.Souhaila BouatraFarid AziatRupasri MandalAn Chi GuoMichael R WilsonCraig KnoxTrent C BjorndahlRamanarayan KrishnamurthyFozia SaleemPhilip LiuZerihun T DameJenna PoelzerJessica HuynhFaizath S YallouNick PsychogiosEdison DongRalf BogumilCornelia RoehringDavid S WishartPublic Library of Science (PLoS)articleMedicineRScienceQENPLoS ONE, Vol 8, Iss 9, p e73076 (2013)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Souhaila Bouatra Farid Aziat Rupasri Mandal An Chi Guo Michael R Wilson Craig Knox Trent C Bjorndahl Ramanarayan Krishnamurthy Fozia Saleem Philip Liu Zerihun T Dame Jenna Poelzer Jessica Huynh Faizath S Yallou Nick Psychogios Edison Dong Ralf Bogumil Cornelia Roehring David S Wishart The human urine metabolome.
description	Urine has long been a "favored" biofluid among metabolomics researchers. It is sterile, easy-to-obtain in large volumes, largely free from interfering proteins or lipids and chemically complex. However, this chemical complexity has also made urine a particularly difficult substrate to fully understand. As a biological waste material, urine typically contains metabolic breakdown products from a wide range of foods, drinks, drugs, environmental contaminants, endogenous waste metabolites and bacterial by-products. Many of these compounds are poorly characterized and poorly understood. In an effort to improve our understanding of this biofluid we have undertaken a comprehensive, quantitative, metabolome-wide characterization of human urine. This involved both computer-aided literature mining and comprehensive, quantitative experimental assessment/validation. The experimental portion employed NMR spectroscopy, gas chromatography mass spectrometry (GC-MS), direct flow injection mass spectrometry (DFI/LC-MS/MS), inductively coupled plasma mass spectrometry (ICP-MS) and high performance liquid chromatography (HPLC) experiments performed on multiple human urine samples. This multi-platform metabolomic analysis allowed us to identify 445 and quantify 378 unique urine metabolites or metabolite species. The different analytical platforms were able to identify (quantify) a total of: 209 (209) by NMR, 179 (85) by GC-MS, 127 (127) by DFI/LC-MS/MS, 40 (40) by ICP-MS and 10 (10) by HPLC. Our use of multiple metabolomics platforms and technologies allowed us to identify several previously unknown urine metabolites and to substantially enhance the level of metabolome coverage. It also allowed us to critically assess the relative strengths and weaknesses of different platforms or technologies. The literature review led to the identification and annotation of another 2206 urinary compounds and was used to help guide the subsequent experimental studies. An online database containing the complete set of 2651 confirmed human urine metabolite species, their structures (3079 in total), concentrations, related literature references and links to their known disease associations are freely available at http://www.urinemetabolome.ca.
format	article
author	Souhaila Bouatra Farid Aziat Rupasri Mandal An Chi Guo Michael R Wilson Craig Knox Trent C Bjorndahl Ramanarayan Krishnamurthy Fozia Saleem Philip Liu Zerihun T Dame Jenna Poelzer Jessica Huynh Faizath S Yallou Nick Psychogios Edison Dong Ralf Bogumil Cornelia Roehring David S Wishart
author_facet	Souhaila Bouatra Farid Aziat Rupasri Mandal An Chi Guo Michael R Wilson Craig Knox Trent C Bjorndahl Ramanarayan Krishnamurthy Fozia Saleem Philip Liu Zerihun T Dame Jenna Poelzer Jessica Huynh Faizath S Yallou Nick Psychogios Edison Dong Ralf Bogumil Cornelia Roehring David S Wishart
author_sort	Souhaila Bouatra
title	The human urine metabolome.
title_short	The human urine metabolome.
title_full	The human urine metabolome.
title_fullStr	The human urine metabolome.
title_full_unstemmed	The human urine metabolome.
title_sort	human urine metabolome.
publisher	Public Library of Science (PLoS)
publishDate	2013
url	https://doaj.org/article/7c98e2038b39406aab29f536252abb90
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The human urine metabolome.

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