The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body. It is intended to be used for applications in metabolomics, clinical chemistry, biomarker discovery and general education.
HMDB is supported byDavid Wishart, Departments of Computing Science & Biological Sciences, University of Alberta. HMDB is also supported bythe Metabolomics Innovation Centre, a Genome Canada-funded core facility serving the scientific community and industry with world-class expertise and cutting-edge technologies in metabolomics. Funding is provided byGenome AlbertaandGenome Canada, a not-for-profit organization that is leading Canada's national genomics strategy with $600 million in funding from the federal government.
Just announcedversion 3.0 of the HMDBhas been significantly expanded and enhanced over the 2009 release (version 2.0). In particular, the number of annotated metabolite entries has grown from 6500 to more than37,166. This enormous expansion is a result of the inclusion of both “Confirmed” metabolites (those with measured concentrations or experimental confirmation of their existence) and “Expected” metabolites (those for which biochemical pathways are known or human intake/exposure is frequent but the compound has yet to be detected in the body). The latest release also has greatly increased the number of metabolites with biofluid or tissue concentration data, the number of compounds with reference spectra and the number of data fields per entry. In addition to this expansion in data quantity, new database visualization tools and new data content has been added or enhanced. These include better spectral viewing tools, more powerful chemical substructure searches, an improved chemical taxonomy and better, more interactive pathway maps. Among other database functions, NMR Searchallows users to submit peak lists from 1H or 13C NMR spectra (both pure and mixtures) and to have these peak lists compared to the NMR libraries contained in the HMDB. This allows the identification of metabolites from mixtures via NMR spectroscopy.
[CNS Yahoo group] Update news for SHIFTX2 version 1.07
Update news for SHIFTX2 version 1.07
SHIFTX2 (Protein chemical shift prediction program) version 1.07 is released at Jan 04, 2012. It is updated its prediction models for the backbone and some
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01-11-2012 04:03 AM
[NMR Sparky Yahoo group] Processing 2D version of 4D 15N,15N-hsqcnoesyhsqc
Processing 2D version of 4D 15N,15N-hsqcnoesyhsqc
Hello I am having problem processing a 2D version (both proton dimension) of a 4D 15N,15N-hsqcnoesyhsqc experiment obtained on varian600. When I tried to
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05-25-2011 10:22 PM
[NMR900 blog] The Human Serum Metabolome
The Human Serum Metabolome
N. Psychogios, D.D. Hau, J. Peng, A.C. Guo, R. Mandal, S. Bouatra, I. Sinelnikov, R. Krishnamurthy, R. Eisner, B. Gautam, N. Young, J. Xia, C. Knox, E. Dong, P. Huang, Z. Hollander, T.L. Pedersen, S.R. Smith, F. Bamforth, R. Greiner, B. McManus, J.W. Newman, T. Goodfriend, D.S. Wishart, "The Human Serum Metabolome," PLoS ONE 6 (2011) e16957. (open access article) http://dx.doi.org/10.1371/journal.pone.0016957
Abstract: Continuing improvements in analytical technology along with an increased interest in performing comprehensive, quantitative metabolic...
[NMRpipe Yahoo group] New Server-Based version of TALOS+
New Server-Based version of TALOS+
Greetings, Fellow Pipers Most Dear ... Many of you will be familiar with the TALOS program, which predicts protein phi and psi torsions from backbone chemical
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11-30-2010 08:11 AM
[NMR paper] Structural genomics and the metabolome: combining computational and NMR methods to id
Structural genomics and the metabolome: combining computational and NMR methods to identify target ligands.
Related Articles Structural genomics and the metabolome: combining computational and NMR methods to identify target ligands.
Curr Opin Drug Discov Devel. 2004 Jan;7(1):62-8
Authors: Parsons L, Orban J
One of the goals of structural genomics is to use three-dimensional structures to gain insights into the function of poorly understood or hypothetical proteins. Approximate functions are often apparent from the protein fold, but more...
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11-24-2010 09:25 PM
[BMNRC community] NMR guide version 3.5
NMR guide version 3.5
http://rmn.iqfr.csic.es/guide
From :
INSTITUTO DE QUÍMICA FÍSICA ROCASOLANO
Departamento de Química Física Biológica
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08-26-2010 06:37 AM
[CNS Yahoo group] Announcing CNS, version 1.3
Announcing CNS, version 1.3
================================================================== Announcing version 1.3 (general release) of the software: Crystallography & NMR System (CNS)
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