Data Item _pdbx_chem_comp_depositor_info.formula
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General 
- Item name
- _pdbx_chem_comp_depositor_info.formula
- Category name
- pdbx_chem_comp_depositor_info
- Attribute name
- formula
- Required in PDB entries
- no
- Used in currrent PDB entries
- No
Item Description
The formula for the chemical component. Formulae are written
according to the following rules:
(1) Only recognized element symbols may be used.
(2) Each element symbol is followed by a 'count' number. A count
of '1' may be omitted.
(3) A space or parenthesis must separate each cluster of
(element symbol + count), but in general parentheses are
not used.
(4) The order of elements depends on whether carbon is
present or not. If carbon is present, the order should be:
C, then H, then the other elements in alphabetical order
of their symbol. If carbon is not present, the elements
are listed purely in alphabetic order of their symbol. This
is the 'Hill' system used by Chemical Abstracts.
Additional Descriptive Information for Depositors
Enter chemical formula of the complete ligand including unobserved atoms and those leaving due to a chemical reaction. Example: C7 H6 O2
Item Example
C18 H19 N7 O8 S
Data Type 
- Data type code
- text
- Data type detail
- text item types / multi-line text ...
- Primitive data type code
- char
- Regular expression
- [][ \n\t()_,.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*