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. The database is designed to contain or link three kinds of data: 1) chemical data, 2) clinical data, and 3) molecular biology/biochemistry data. The database currently contains nearly 2500 metabolite entries including both water-soluble and lipid soluble metabolites as well as metabolites that would be regarded as either abundant (> 1 uM) or relatively rare (< 1 nM). ... [Information of the supplier]
The human genome seems to encode for not more than 30,000 to 40,000 proteins. A major challenge is to understand how posttranslational events, such as glycosylation, affect the activities and functions of these proteins in health and disease. The importance of protein glycosylation is becoming widely realized through studies on protein folding, protein localization and trafficking, protein solubility, biological half-life as well as studies on cell-cell interactions. The progressing Glycomics projects will dramatically accelerate the understanding of the roles of carbohydrates in cell communication and lead to novel therapeutic approaches for treatment of human disease. The MIT's magazine of innovation (January 21 2003) has identified Glycomics as one of the top ten technologies that will change the future. To support the upcoming Glycomics projects we [German Cancer Research Center (DKFZ), Heidelberg] focus our research activities on the development of bioinformatic tools and databases for glycobiology. ... [Information of the supplier]
The official database of Japanese Conference on the Biochemistry of Lipids (JCBL). "LIPID BANK for web" is an open, publicly free database of natural lipids including fatty acids, glycerolipids, sphingolipids, steroids, and various vitamins. The database contains more than 6000 unique molecular structures (ChemDraw cdx format, MDL MOL format), their lipid names (common name, IUPAC), spectral information (mass, UV, IR, NMR and others), and most importantly, literature information. The database lists natural lipids only, and all molecular information is manually curated and approved by experts in lipid research. ... [Information of the supplier]
This site lists all substances and their properties which are reported on in the indexed Landolt-Börnstein volumes. In total, 160 000 organic and inorganic compounds are described by names, molecular structures, chemical abstract numbers and other identifiers. Properties are directly linked to the full documents at Springerlink. Landolt-Börnstein citations are given as "Vol. LB-Group/Volume Chapter: number [, page]: document title" and have a hyperlink to the full-text of the document containing the substance. The short identifier of the LB volume leads to a complete denotation of the reference with a direct link to the respective volume. For several compounds crosslinks to some derivatives are provided, e.g. isotope-marked compounds, hydrates and hydrochlorides. For benzenamine (aniline) for example there is a direct link to the related compounds benzenamine-d7 and aniline hydrochloride/hydrobromide/hydroiodide. Additionally, EINECS numbers (European Inventory of Existing Commercial Chemical Substances) are provided if available. Compounds are linked to NIMS (National Institute for Materials Science) data where disposable. ... [Information of the supplier]
MassBank is the first public repository of mass spectral data for sharing them among scientific research community. MassBank data are useful for the chemical identification and structure elucidation of chemical compounds detected by mass spectrometry. This website counts with the following features: a) distributed database, b) high precision and accurate mass spectra of primary metabolites and secondary metabolites, c) mass spectral search by exact m/z and browsing interface and d) search for merged spectra. A merged spectrum is generated from spectra of the identical compound measured in different CID conditions. The MassBank Record for each merged spectrum includes information of its original spectra. ... [Information of the supplier, modified]
Humans perceive numerous compounds as bitter. The bitterness of a compound often provides a hint to its potential toxicity, and aversion from bitterness helps refrain from consuming poisons. Well known example is strychnine. Some other bitter compounds, such as caffeine, while toxic in high dosages, are palatable and is consumed in large quantities. The amount of bitter compounds is estimated in thousands. But what are these compounds? How similar or different are their chemical properties? Do they act on the same or on different receptors? Is it possible to predict bitterness of a molecule? To enable investigation into these intriguing questions, we established BitterDB, a free and searchable database of bitter compounds. BitterDB currently holds over 550 bitter compounds obtained from the literature and from Merck index and their associated 25 human bitter taste receptors (hT2Rs). BitterDB provides several ways to investigate the bitter world: search for bitter compounds by different criteria, search for bitter molecules with structure similar to a query compound, blast bitter receptors and more. ... [Information of the supplier]
hiPathDB provides two different types of integration. The pathway-level integration is a simple collection of individual pathways as described in the original database. We devised a gene-centric pathway model that could reflect different properties of four databases. The entity-level integration creates a super pathway that merged all pathways by unifying redundant components. Even though the detailed molecular information such as complex formation or modification can be lost in some cases, the merged superpathway provides a unified view of current knowledge on human pathways, which is critical to understand relationships among different pathways. Another strong merit of hiPathDB is the built-in pathway visualization module to support explorative study of complex networks in an interactive fashion. The force-directed layout algorithm is optimized for almost automatic visualization of pathways. ... [Information of the supplier]
MMMDB 1.2 is a freely available metabolomic database containing a collection of metabolites measured from multiple tissues from single mice. The datasets are collected using a single instrument and not integrated from literatures, which is useful for capturing the holistic overview of large metabolomic pathway. Currently data from cerebral, cerebella, thymus, spleen, lung, liver, kidney, heart, pancreas, testis, and plasma are provided. Non-targeted analyses were performed by capillary electropherograms time-of-flight mass spectrometry (CE-TOFMS) and, therefore, both identified metabolites and unknown (without matched standard) peaks were uploaded to this database. Not only quantified concentration but also processed raw data such as electropherogram, mass spectrometry, and annotation (such as isotope and fragment) are provided. ... [Information of the supplier]
MeRy-B is a plant metabolomics platform allowing the storage and visualisation of Nuclear Magnetic Resonance (NMR) metabolic profiles from plants. For data uploading contact the administrator. MeRy-B is a web-based application with either public or private access. It is designed to fill a knowledgebase of curated plant profiles and metabolites obtained by NMR, to query and visualize the data, to detect biomarkers with spectra visualization and statistical tools, and to assist in biomarker identification. It contains plant metabolites and unknown compounds lists with information about experimental conditions and metabolite concentrations from several plant species compiled from a thousand of curated annotated NMR profiles on various organs or tissues. ... [Information of the supplier]
UniPathway is a manually curated resource of enzyme-catalyzed and spontaneous chemical reactions. It provides a hierarchical representation of metabolic pathways and a controlled vocabulary for pathway annotation in UniProtKB. UniPathway data are cross-linked to existing metabolic resources such as ChEBI/Rhea, KEGG and MetaCyc. ... [Information of the supplier]
