PDBx/mmCIF
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Data Category pdbx_chem_comp_descriptor

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General

Category name
pdbx_chem_comp_descriptor
Required in PDB entries
no
Category group membership
chem_comp_dictionary_group  chem_comp_group  pdbx_group
Used in current PDB entries
No
Used in the Chemical Component dictionary
Yes

Category Relationship Diagrams

70
View full category relationship diagram including all dictionary data categories
70
View abbreviated category relationship diagram including only those categories used in the chemical reference dictionary.

Category Description 

               Data items in the CHEM_COMP_DESCRIPTOR category provide
               string descriptors of component chemical structure.

Category Example

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    loop_
    _pdbx_chem_comp_descriptor.comp_id
    _pdbx_chem_comp_descriptor.descriptor
    _pdbx_chem_comp_descriptor.type
    _pdbx_chem_comp_descriptor.program
    _pdbx_chem_comp_descriptor.program_version
     ATP       c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
           SMILES           OPENEYE  1.5.0

Key Data Items

Category Data Items

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