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The ChEBI database describes most of the chemical elements twice – as descendants of the entry atom [CHEBI 33250] and as descendants of the entry molecular entity [CHEBI:23367].
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For example, when introduced last year, the entry level Atom cost $45 when purchased in large quantities.
VICI entries are defined in terms of ATOM entries.
In the string that identifies a VICINITY entry, the central ATOM was placed in the head, and the attaching ATOM entries were sorted in the alphabetical order, connected with plus signs, and placed in parentheses.
Setting atoms 6 and 11 as entry and exit atoms, respectively, then produces the structure shown in Figure 6C.
This procedure comprises a series of atom entry filtering steps which were processed in the following order.
Ring properties are also added to each ATOM entry if the atom is part of a 3-, 4-, 5- or 6-membered ring.
Each ATOM entry is given an ID number (ATOM0001 ATOM2736) based solely on its order of inclusion in the BiSSCat database.
An ATOM entry represents KEGG Atom Type (Table 1).
Each RPAIR entry specifies an atom mapping for a reactant pair, or substrate and product, in one or more reactions.
Larger cyclic substructures are not described in ATOM entries but are included in RING entries.
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