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Small Molecule Pathway Database information


SMPDB
Content
DescriptionPathway database
Data types
captured
Small molecule pathways, metabolic pathways, metabolic disease pathways, metabolite signaling pathways, drug action pathways, drug metabolism pathways
Contact
Research centerUniversity of Alberta and The Metabolomics Innovation Centre
LaboratoryDavid S. Wishart
Primary citationSMPDB: The Small Molecule Pathway Database.[1]
Access
Websitehttp://www.smpdb.ca
Download URLhttp://www.smpdb.ca/downloads
Miscellaneous
Data release
frequency
Every 2-3 years with periodic corrections and updates
Curation policyManually curated

The Small Molecule Pathway Database (SMPDB)[1][2] is a comprehensive, high-quality, freely accessible, online database containing more than 600 small molecule (i.e. metabolic) pathways found in humans. SMPDB is designed specifically to support pathway elucidation and pathway discovery in metabolomics, transcriptomics, proteomics and systems biology. It is able to do so, in part, by providing colorful, detailed, fully searchable, hyperlinked diagrams of five types of small molecule pathways: 1) general human metabolic pathways; 2) human metabolic disease pathways; 3) human metabolite signaling pathways; 4) drug-action pathways and 5) drug metabolism pathways. SMPDB pathways may be navigated, viewed and zoomed interactively using a Google Maps-like interface. All SMPDB pathways include information on the relevant organs, subcellular compartments, protein cofactors, protein locations, metabolite locations, chemical structures and protein quaternary structures (Fig. 1). Each small molecule in SMPDB is hyperlinked to detailed descriptions contained in the HMDB[3] or DrugBank[4] and each protein or enzyme complex is hyperlinked to UniProt.[5] Additionally, all SMPDB pathways are accompanied with detailed descriptions and references, providing an overview of the pathway, condition or processes depicted in each diagram. Users can browse the SMPDB (Fig. 2) or search its contents by text searching (Fig. 3), sequence searching, or chemical structure searching. More powerful queries are also possible including searching with lists of gene or protein names, drug names, metabolite names, GenBank IDs, Swiss-Prot IDs, Agilent or Affymetrix microarray IDs. These queries will produce lists of matching pathways and highlight the matching molecules on each of the pathway diagrams. Gene, metabolite and protein concentration data can also be visualized through SMPDB's mapping interface.


SMPDB is part of a suite of metabolomics databases that also includes Human Metabolome Database, DrugBank, and the Toxin and Toxin-Target Database (T3DB). While DrugBank includes information on 7000 drugs and >4200 non-redundant drug targets, enzymes, transporters, and carriers, HMDB houses over 40,000 small molecule metabolites found in the human body. The suite is complemented by T3DB with its over 3100 common toxic substances and over 1300 corresponding toxin targets.

  1. ^ a b Frolkis, A; Knox, C; Lim, E; Jewison, T; Law, V; Hau, DD; Liu, P; Gautam, B; Ly, S; Guo, AC; Xia, J; Liang, Y; Shrivastava, S; Wishart, DS (Jan 2010). "SMPDB: The Small Molecule Pathway Database". Nucleic Acids Research. 38 (Database issue): D480-7. doi:10.1093/nar/gkp1002. PMC 2808928. PMID 19948758.
  2. ^ Jewison, T; Su Y; Disfany FM; et al. (Jan 2014). "Small Molecule Pathway Database". Nucleic Acids Research. 42 (Database issue): D478-84. doi:10.1093/nar/gkt1067. PMC 3965088. PMID 24203708.
  3. ^ Wishart DS, Tzur D, Knox C, Eisner R, Guo AC, Young N, Cheng D, Jewell K, Arndt D, Sawhney S, Fung C, Nikolai L, Lewis M, Coutouly MA, Forsythe I, Tang P, Shrivastava S, Jeroncic K, Stothard P, Amegbey G, Block D, Hau DD, Wagner J, Miniaci J, Clements M, Gebremedhin M, Guo N, Zhang Y, Duggan GE, Macinnis GD, Weljie AM, Dowlatabadi R, Bamforth F, Clive D, Greiner R, Li L, Marrie T, Sykes BD, Vogel HJ, Querengesser L (Jan 2007). "HMDB: the Human Metabolome Database". Nucleic Acids Research. 35 (Database issue): D521-6. doi:10.1093/nar/gkl923. PMC 1899095. PMID 17202168.
  4. ^ Knox, C; Law, V; Jewison, T; Liu, P; Ly, S; Frolkis, A; Pon, A; Banco, K; Mak, C; Neveu, V; Djoumbou, Y; Eisner, R; Guo, AC; Wishart, DS. (Jan 2011). "DrugBank 3.0: a comprehensive resource for 'omics' research on drugs". Nucleic Acids Research. 39 (Database issue): D1035-41. doi:10.1093/nar/gkq1126. PMC 3013709. PMID 21059682.
  5. ^ UniProt Consortium (Jan 2011). "Ongoing and future developments at the Universal Protein Resource". Nucleic Acids Research. 39 (Database issue): D214-9. doi:10.1093/nar/gkq1020. PMC 3013648. PMID 21051339.

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Small Molecule Pathway Database

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DrugBank

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MetaboAnalyst

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metabolomics databases that also includes Human Metabolome Database (HMDB), DrugBank, Toxin and Toxin-Target Database, and The Small Molecule Pathway Database. The...

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Human Metabolome Database

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The Human Metabolome Database (HMDB) is a comprehensive, high-quality, freely accessible, online database of small molecule metabolites found in the human...

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Cell signaling

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PMID 15908344. Camilli A, Bassler BL (February 2006). "Bacterial small-molecule signaling pathways". Science. 311 (5764): 1113–6. Bibcode:2006Sci...311.1113C...

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Hedgehog signaling pathway

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present in all bilaterians. The pathway takes its name from its polypeptide ligand, an intracellular signaling molecule called Hedgehog (Hh) found in fruit...

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KEGG

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Encyclopedia of Genes and Genomes) is a collection of databases dealing with genomes, biological pathways, diseases, drugs, and chemical substances. KEGG is...

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Glycolysis

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molecule. This yields 2 NADH molecules and 4 ATP molecules, leading to a net gain of 2 NADH molecules and 2 ATP molecules from the glycolytic pathway...

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Metabolic pathway

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synthesize molecules with the utilization of energy (anabolic pathway), or break down complex molecules and release energy in the process (catabolic pathway)....

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Biomolecular Object Network Databank

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containing information on small molecule structures and interactions. The databank integrates a number of existing databases to provide a comprehensive...

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Signal transduction

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development. The majority of signal transduction pathways involve the binding of signaling molecules, known as ligands, to receptors that trigger events...

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Targeted therapy

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of VAL-083 are registered. Vintafolide is a small molecule drug conjugate consisting of a small molecule targeting the folate receptor. It is currently...

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Azathioprine

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Verlag. p. 340. ISBN 978-3-7692-3483-1. "Azathioprine Pathway". Small Molecule Pathway Database. Archived from the original on 2 July 2012. Retrieved...

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Anabolism

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(/əˈnæbəlɪzəm/) is the set of metabolic pathways that construct macromolecules like DNA or RNA from smaller units. These reactions require energy, known...

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Pathway analysis

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molecular interactions. A pathway is most often represented as a relatively small graph with gene, protein, and/or small molecule nodes connected by edges...

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Transferase

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group) from one molecule (called the donor) to another (called the acceptor). They are involved in hundreds of different biochemical pathways throughout biology...

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Second messenger system

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are intracellular signaling molecules released by the cell in response to exposure to extracellular signaling molecules—the first messengers. (Intercellular...

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List of biological databases

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detailed information about small molecule metabolites found in the human body KEGG PATHWAY Database (Univ. of Kyoto) MANET database (University of Illinois)...

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Biochemical cascade

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can denote a metabolic pathway involving a sequence of enzyme-catalyzed reactions of small molecules, or a signaling pathway involving a set of protein...

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Metabolome

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The metabolome refers to the complete set of small-molecule chemicals found within a biological sample. The biological sample can be a cell, a cellular...

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Metabolism

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reused in different pathways and perform similar functions on different molecules. As well as the evolution of new metabolic pathways, evolution can also...

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Glycerol kinase deficiency

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Wishart, David (6 March 2010). "Glycerol Kinase Deficiency". Small Molecule Pathway Database. Archived from the original on 2 July 2012. Retrieved 21 December...

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Phospholipase C

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diacylglycerol and ceramide, respectively. These molecules then participate in signal transduction pathways. It has been reported that the toxin activates...

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Small interfering RNA

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non-coding RNA molecules, typically 20–24 (normally 21) base pairs in length, similar to miRNA, and operating within the RNA interference (RNAi) pathway. It interferes...

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Cellular respiration

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using inorganic molecules other than oxygen as final electron acceptors in the electron transport chain. They share the initial pathway of glycolysis but...

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Fatty acid metabolism

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metabolic processes involving or closely related to fatty acids, a family of molecules classified within the lipid macronutrient category. These processes can...

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Lactic acid fermentation

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NADH and NAD+. In homolactic fermentation, one molecule of glucose is ultimately converted to two molecules of lactic acid. Heterolactic fermentation, by...

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Reactome

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small molecules) participating in reactions form a network of biological interactions and are grouped into pathways. Examples of biological pathways in...

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Biomolecule

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also present in small amounts. The uniformity of both specific types of molecules (the biomolecules) and of certain metabolic pathways are invariant features...

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