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  1. ChEBI (View Publication)
    Full Name of the Resource : Chemical entities of biological interest
    Resource Category : Databases -> Structure Databases -> Small Molecules

    Brief Description : Chemical Entities of Biological Interest (ChEBI) is a freely available dictionary of molecular entities focused on ?small? chemical compounds. The term ?molecular entity? encompasses any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer, etc., identifiable as a separately distinguishable entity [1]. The molecular entities in question are either natural products or synthetic products used to intervene in the processes of living organisms. Genome-encoded macromolecules (nucleic acids, proteins and peptides derived from proteins by cleavage) are not as a rule included in ChEBI. In addition to molecular entities, ChEBI contains groups (parts of molecular entities) and classes of entities. ChEBI encompasses an ontological classification, whereby the relationships between molecular entities or classes of entities and their parents and/or children are specified. ChEBI uses nomenclature, symbolism and terminology endorsed by the following international scientific bodies:- International Union of Pure and Applied Chemistry (http://www.iupac.org/) (IUPAC) - Nomenclature Committee of the International Union of Biochemistry and Molecular Biology (http://www.iubmb.org/) (NC-IUBMB) All data in the database is non-proprietary or is derived from a non-proprietary source. Each data item is fully traceable and explicitly referenced to the original source. ChEBI shows the following data fields:- ChEBI identifer - the unique identifer - ChEBI name - the name recommended for use in biological databases - ChEBI ASCII name - the ChEBI name with any special characters rendered in ASCII format - Definition - a short verbal definition is included in some entries, especially relevant to classes - Structure - graphical representation(s) of a molecular structure and associated molfile(s), IUPAC International Chemical Identifier (InChI) and SMILES strings - Formula - Molecular formula - Parents and children, according to ChEBI Ontology - IUPAC name - a name generated according to the recommendations of IUPAC - Synonyms - other names together with an indication of their source - Database links - manually curated cross-references to other non-proprietary databases - Registry numbers - CAS Registry Number, Beilstein Registry Number, Gmelin Registry Number (if available) - Comment(s) - A free-text comment may be added to some terms, especially in cases where confusing terminology has been historically used. A comment may relate to a single term or to the entry as a whole. The ChEBI terms have been automatically mapped to the UniProt (http://www.ebi.uniprot.org/) database, and for each ChEBI entity the list of UniProt entries containing the relevant terms are available. ChEBI can be accessed through the WWW (http://www.ebi.ac.uk/chebi/) or may be downloaded by anonymous FTP (ftp://ftp.ebi.ac.uk/pub/databases/chebi/).
    Subject Area : Chemical Entries


    Institute/s :
    EMBL Outstation - The European Bioinformatics Institute, Wellcome Trust Genome Campus, Hinxton, Cambridge, UK
    Address of Institute/s :
    EMBL Outstation - The European Bioinformatics Institute, Wellcome Trust Genome Campus, Hinxton, Cambridge, UK
    Country : United Kingdom

    Associated Institutes :

    • Chemoinformatics and Metabolism Team, European Bioinformatics Institute, Hinxton, Cambridge CB10 1SD, UK
    • Laboratoire Statistique et G?nome, Universite d'Evry Val d'Essonne, France
    • Department of Genetics, University of Cambridge, Cambridge, UK

    Associated Country : France; United Kingdom


    Authors/Contributors : Degtyarenko K.
    Contact Email : kirill@ebi.ac.uk
    Year : 2010
    Language : English

    Keywords : Computational Biology / methods; Databases, Factual; Databases, Genetic; Databases, Protein; Dictionaries, Chemical; Software