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EMBL-EBI | Chemical Biology | ChEBI
A manually curated database and ontology of chemical entities
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ChEBI is an open-access database and ontology of chemical entities. The term ‘chemical entity’ in ChEBI refers to any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer, etc. The term also includes groups (part- molecular entities), chemical substances, and classes of molecular entities. The chemical entities in ChEBI are either naturally occurring molecules or synthetic compounds used to intervene in the processes of living organisms. Macromolecules directly encoded by the genome (e.g. nucleic acids, proteins and peptides derived from proteins by cleavage) are not as a rule included in ChEBI. The >195,000 entries in the database can be queried using text and structure searches (e.g. by name, molecular formula, InChI, or SMILES). For each entity ChEBI may include a wealth of other information such as literature citations, cross-references to other databases, and species data.
ChEBI uses the nomenclature, symbolism and terminology endorsed by the International Union of Pure and Applied Chemistry (IUPAC) and the Nomenclature Committee of the International Union of Biochemistry and Molecular Biology (NC-IUBMB). ChEBI also incorporates an ontological classification, whereby the relationships between chemical entities or classes of entities and their parents and/or children are defined; this enables queries based for example on chemical class and role.