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NP-MRD: the Natural Products Magnetic Resonance Database

The Natural Products Magnetic Resonance Database (NP-MRD) is a comprehensive, freely available electronic resource for the deposition, distribution, searching and retrieval of nuclear magnetic resonance (NMR) data on natural products, metabolites and other biologically derived chemicals. NMR spectro...

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Autores principales: Wishart, David S, Sayeeda, Zinat, Budinski, Zachary, Guo, AnChi, Lee, Brian L, Berjanskii, Mark, Rout, Manoj, Peters, Harrison, Dizon, Raynard, Mah, Robert, Torres-Calzada, Claudia, Hiebert-Giesbrecht, Mickel, Varshavi, Dorna, Varshavi, Dorsa, Oler, Eponine, Allen, Dana, Cao, Xuan, Gautam, Vasuk, Maras, Andrew, Poynton, Ella F, Tavangar, Pegah, Yang, Vera, van Santen, Jeffrey A, Ghosh, Rajarshi, Sarma, Saurav, Knutson, Eleanor, Sullivan, Victoria, Jystad, Amy M, Renslow, Ryan, Sumner, Lloyd W, Linington, Roger G, Cort, John R
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8728158/
https://www.ncbi.nlm.nih.gov/pubmed/34791429
http://dx.doi.org/10.1093/nar/gkab1052
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author Wishart, David S
Sayeeda, Zinat
Budinski, Zachary
Guo, AnChi
Lee, Brian L
Berjanskii, Mark
Rout, Manoj
Peters, Harrison
Dizon, Raynard
Mah, Robert
Torres-Calzada, Claudia
Hiebert-Giesbrecht, Mickel
Varshavi, Dorna
Varshavi, Dorsa
Oler, Eponine
Allen, Dana
Cao, Xuan
Gautam, Vasuk
Maras, Andrew
Poynton, Ella F
Tavangar, Pegah
Yang, Vera
van Santen, Jeffrey A
Ghosh, Rajarshi
Sarma, Saurav
Knutson, Eleanor
Sullivan, Victoria
Jystad, Amy M
Renslow, Ryan
Sumner, Lloyd W
Linington, Roger G
Cort, John R
author_facet Wishart, David S
Sayeeda, Zinat
Budinski, Zachary
Guo, AnChi
Lee, Brian L
Berjanskii, Mark
Rout, Manoj
Peters, Harrison
Dizon, Raynard
Mah, Robert
Torres-Calzada, Claudia
Hiebert-Giesbrecht, Mickel
Varshavi, Dorna
Varshavi, Dorsa
Oler, Eponine
Allen, Dana
Cao, Xuan
Gautam, Vasuk
Maras, Andrew
Poynton, Ella F
Tavangar, Pegah
Yang, Vera
van Santen, Jeffrey A
Ghosh, Rajarshi
Sarma, Saurav
Knutson, Eleanor
Sullivan, Victoria
Jystad, Amy M
Renslow, Ryan
Sumner, Lloyd W
Linington, Roger G
Cort, John R
author_sort Wishart, David S
collection PubMed
description The Natural Products Magnetic Resonance Database (NP-MRD) is a comprehensive, freely available electronic resource for the deposition, distribution, searching and retrieval of nuclear magnetic resonance (NMR) data on natural products, metabolites and other biologically derived chemicals. NMR spectroscopy has long been viewed as the ‘gold standard’ for the structure determination of novel natural products and novel metabolites. NMR is also widely used in natural product dereplication and the characterization of biofluid mixtures (metabolomics). All of these NMR applications require large collections of high quality, well-annotated, referential NMR spectra of pure compounds. Unfortunately, referential NMR spectral collections for natural products are quite limited. It is because of the critical need for dedicated, open access natural product NMR resources that the NP-MRD was funded by the National Institute of Health (NIH). Since its launch in 2020, the NP-MRD has grown quickly to become the world's largest repository for NMR data on natural products and other biological substances. It currently contains both structural and NMR data for nearly 41,000 natural product compounds from >7400 different living species. All structural, spectroscopic and descriptive data in the NP-MRD is interactively viewable, searchable and fully downloadable in multiple formats. Extensive hyperlinks to other databases of relevance are also provided. The NP-MRD also supports community deposition of NMR assignments and NMR spectra (1D and 2D) of natural products and related meta-data. The deposition system performs extensive data enrichment, automated data format conversion and spectral/assignment evaluation. Details of these database features, how they are implemented and plans for future upgrades are also provided. The NP-MRD is available at https://np-mrd.org.
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spelling pubmed-87281582022-01-05 NP-MRD: the Natural Products Magnetic Resonance Database Wishart, David S Sayeeda, Zinat Budinski, Zachary Guo, AnChi Lee, Brian L Berjanskii, Mark Rout, Manoj Peters, Harrison Dizon, Raynard Mah, Robert Torres-Calzada, Claudia Hiebert-Giesbrecht, Mickel Varshavi, Dorna Varshavi, Dorsa Oler, Eponine Allen, Dana Cao, Xuan Gautam, Vasuk Maras, Andrew Poynton, Ella F Tavangar, Pegah Yang, Vera van Santen, Jeffrey A Ghosh, Rajarshi Sarma, Saurav Knutson, Eleanor Sullivan, Victoria Jystad, Amy M Renslow, Ryan Sumner, Lloyd W Linington, Roger G Cort, John R Nucleic Acids Res Database Issue The Natural Products Magnetic Resonance Database (NP-MRD) is a comprehensive, freely available electronic resource for the deposition, distribution, searching and retrieval of nuclear magnetic resonance (NMR) data on natural products, metabolites and other biologically derived chemicals. NMR spectroscopy has long been viewed as the ‘gold standard’ for the structure determination of novel natural products and novel metabolites. NMR is also widely used in natural product dereplication and the characterization of biofluid mixtures (metabolomics). All of these NMR applications require large collections of high quality, well-annotated, referential NMR spectra of pure compounds. Unfortunately, referential NMR spectral collections for natural products are quite limited. It is because of the critical need for dedicated, open access natural product NMR resources that the NP-MRD was funded by the National Institute of Health (NIH). Since its launch in 2020, the NP-MRD has grown quickly to become the world's largest repository for NMR data on natural products and other biological substances. It currently contains both structural and NMR data for nearly 41,000 natural product compounds from >7400 different living species. All structural, spectroscopic and descriptive data in the NP-MRD is interactively viewable, searchable and fully downloadable in multiple formats. Extensive hyperlinks to other databases of relevance are also provided. The NP-MRD also supports community deposition of NMR assignments and NMR spectra (1D and 2D) of natural products and related meta-data. The deposition system performs extensive data enrichment, automated data format conversion and spectral/assignment evaluation. Details of these database features, how they are implemented and plans for future upgrades are also provided. The NP-MRD is available at https://np-mrd.org. Oxford University Press 2021-11-17 /pmc/articles/PMC8728158/ /pubmed/34791429 http://dx.doi.org/10.1093/nar/gkab1052 Text en © The Author(s) 2021. Published by Oxford University Press on behalf of Nucleic Acids Research. https://creativecommons.org/licenses/by/4.0/This is an Open Access article distributed under the terms of the Creative Commons Attribution License (https://creativecommons.org/licenses/by/4.0/), which permits unrestricted reuse, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Database Issue
Wishart, David S
Sayeeda, Zinat
Budinski, Zachary
Guo, AnChi
Lee, Brian L
Berjanskii, Mark
Rout, Manoj
Peters, Harrison
Dizon, Raynard
Mah, Robert
Torres-Calzada, Claudia
Hiebert-Giesbrecht, Mickel
Varshavi, Dorna
Varshavi, Dorsa
Oler, Eponine
Allen, Dana
Cao, Xuan
Gautam, Vasuk
Maras, Andrew
Poynton, Ella F
Tavangar, Pegah
Yang, Vera
van Santen, Jeffrey A
Ghosh, Rajarshi
Sarma, Saurav
Knutson, Eleanor
Sullivan, Victoria
Jystad, Amy M
Renslow, Ryan
Sumner, Lloyd W
Linington, Roger G
Cort, John R
NP-MRD: the Natural Products Magnetic Resonance Database
title NP-MRD: the Natural Products Magnetic Resonance Database
title_full NP-MRD: the Natural Products Magnetic Resonance Database
title_fullStr NP-MRD: the Natural Products Magnetic Resonance Database
title_full_unstemmed NP-MRD: the Natural Products Magnetic Resonance Database
title_short NP-MRD: the Natural Products Magnetic Resonance Database
title_sort np-mrd: the natural products magnetic resonance database
topic Database Issue
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8728158/
https://www.ncbi.nlm.nih.gov/pubmed/34791429
http://dx.doi.org/10.1093/nar/gkab1052
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