Статья

HMDB 5.0: the Human Metabolome Database for 2022

David S. WishartDepartment of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E9, CanadaAnChi GuoDepartment of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E9, CanadaEponine OlerDepartment of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E9, CanadaFei WangDepartment of Computing Science, University of Alberta, Edmonton, AB T6G 2E8, CanadaAfia AnjumDepartment of Computing Science, University of Alberta, Edmonton, AB T6G 2E8, CanadaHarrison PetersDepartment of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E9, CanadaRaynard DizonDepartment of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E9, CanadaZinat SayeedaDepartment of Computing Science, University of Alberta, Edmonton, AB T6G 2E8, CanadaSiyang TianDepartment of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E9, CanadaBrian L. LeeDepartment of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E9, CanadaMark BerjanskiiDepartment of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E9, CanadaRobert MahDepartment of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E9, CanadaMai YamamotoDepartment of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E9, CanadaJuan JovelDepartment of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E9, CanadaClaudia Torres-CalzadaDepartment of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E9, CanadaMickel Hiebert-GiesbrechtDepartment of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E9, CanadaVicki W LuiDepartment of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E9, CanadaDorna VarshaviDepartment of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E9, CanadaDorsa VarshaviDepartment of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E9, CanadaDana G. AllenDepartment of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E9, CanadaDavid ArndtDepartment of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E9, CanadaNitya KhetarpalDepartment of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E9, CanadaAadhavya SivakumaranDepartment of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E9, CanadaKarxena HarfordDepartment of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E9, CanadaSelena SanfordDepartment of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E9, CanadaKristen S. YeeDepartment of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E9, CanadaXuan CaoDepartment of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E9, CanadaZachary BudinskiDepartment of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E9, CanadaJaanus LiigandDepartment of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E9, CanadaLun ZhangDepartment of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E9, CanadaJiamin ZhengDepartment of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E9, CanadaRupasri MandalDepartment of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E9, CanadaNaama KaruLeiden Academic Centre for Drug Research LACDR/Analytical Biosciences, Leiden University, Leiden, NetherlandsMaija DambrovaLaboratory of Pharmaceutical Pharmacology, Latvian Institute of Organic Synthesis, Riga, LatviaHelgi B. SchiöthInstitute for Translational Medicine and Biotechnology, Sechenov First Moscow State Medical University, Moscow, RussiaRussell GreinerDepartment of Computing Science, University of Alberta, Edmonton, AB T6G 2E8, CanadaVasuk GautamDepartment of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E9, Canada

2021en

ABI

Аннотация

The Human Metabolome Database or HMDB (https://hmdb.ca) has been providing comprehensive reference information about human metabolites and their associated biological, physiological and chemical properties since 2007. Over the past 15 years, the HMDB has grown and evolved significantly to meet the needs of the metabolomics community and respond to continuing changes in internet and computing technology. This year's update, HMDB 5.0, brings a number of important improvements and upgrades to the database. These should make the HMDB more useful and more appealing to a larger cross-section of users. In particular, these improvements include: (i) a significant increase in the number of metabolite entries (from 114 100 to 217 920 compounds); (ii) enhancements to the quality and depth of metabolite descriptions; (iii) the addition of new structure, spectral and pathway visualization tools; (iv) the inclusion of many new and much more accurately predicted spectral data sets, including predicted NMR spectra, more accurately predicted MS spectra, predicted retention indices and predicted collision cross section data and (v) enhancements to the HMDB's search functions to facilitate better compound identification. Many other minor improvements and updates to the content, the interface, and general performance of the HMDB website have also been made. Overall, we believe these upgrades and updates should greatly enhance the HMDB's ease of use and its potential applications not only in human metabolomics but also in exposomics, lipidomics, nutritional science, biochemistry and clinical chemistry.

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Идентификаторы

DOI: 10.1093/nar/gkab1062

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Цитирований: 3Использованных источников: 0

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