PDBx/mmCIF
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Data Category ihm_chemical_component_descriptor

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General

Category name
ihm_chemical_component_descriptor
Required in PDB entries
no
Category group membership
ihm_group
Used in current PDB entries
No

Category Relationship Diagrams

70
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Category Description 

               Data items in the IHM_CHEMICAL_COMPONENT_DESCRIPTOR category records the
               details of the chemical descriptors of various non-polymeric
               chemical components (fluorescent probes, crosslinking agents etc.)
               used in the experiments.

Category Example

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        loop_
        _ihm_chemical_component_descriptor.id
        _ihm_chemical_component_descriptor.chemical_name
        _ihm_chemical_component_descriptor.auth_name
        _ihm_chemical_component_descriptor.smiles
        _ihm_chemical_component_descriptor.inchi
        _ihm_chemical_component_descriptor.inchi_key
        1 "1-ethyl-3-(3-dimethylaminopropyl)carbodiimide hydrochloride" "EDC" "CCN=C=NCCCN(C)C"
          "1S/C8H17N3/c1-4-9-8-10-6-5-7-11(2)3/h4-7H2,1-3H3" "LMDZBCPBFSXMTL-UHFFFAOYSA-N"
        2 "disuccinimidyl suberate" "DSS" "C1CC(=O)N(C1=O)OC(=O)CCCCCCC(=O)ON2C(=O)CCC2=O"
          "1S/C16H20N2O8/c19-11-7-8-12(20)17(11)25-15(23)5-3-1-2-4-6-16(24)26-18-13(21)9-10-14(18)22/h1-10H2"
          "ZWIBGKZDAWNIFC-UHFFFAOYSA-N"
        # ... abbreviated ...

Key Data Items

Category Data Items

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