Different types of data

Structural data

If a chemical structure can be drawn for an entity, it will be shown in the top left-hand corner of the main ChEBI display page for the entity (see Figure 3 below). Structures of large or complex entities can be enlarged using the ‘zoom in’ icon.

Immediately underneath the structure, there are direct links to carry out the commands ‘Find compounds which contain this structure’, ‘Find compounds which resemble this structure‘, or to ‘Take the structure to the Advanced Search’, which allows the structure to be used in conjunction with text and ontology searches.

To the right of the structure, the recommended ChEBI Name is shown, along with the ChEBI ID (a unique and stable identifier), an ontological definition, the ‘star’ status of the entry, and secondary IDs (i.e. identifiers of records that have been merged with the record; searching for any secondary ID will automatically find it and display the merged record).

If a Wikipedia article is available for the entity, the introductory paragraph of the article is shown in a ‘Wikipedia’ section underneath the structure, along with a link to the full article. Under this section, the molecular formula, charge, and molecular weight are shown, together with standard InChI, InChIKey, and SMILES line entry versions of the structure.