Data Item _pdbx_ligscreen_investigation_lib_component.isomeric_smiles

General

Item name
_pdbx_ligscreen_investigation_lib_component.isomeric_smiles
Category name
pdbx_ligscreen_investigation_lib_component
Attribute name
isomeric_smiles
Required in PDB entries
no
Used in current PDB entries
No

Item Description

This SMILES descriptor for Chemical Library or Chemical Series compound including information about configuration around double bonds and chirality. An isomeric SMILES is also known as an CANONICALIZED SMILES.

Data Type

Data type code
text
Data type detail
Multi-line text
Primitive data type code
char
Regular expression
[ \n\t()_,.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*