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BiSSCat Help Page

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BiSSCat Objects

FGROUP Index of functional groups and substructures F311100 Primary Alcohol
SUBSTRUCTURE Collection of pre-calculated chemical substructures S0000137
COMPOUND Chemical compound information derived from KEGG and NCI databasesC00005 NADPH

Text-search options

The text-search option is located at the top of the homepage and can be used to search for:
  1. any term for compounds, functional groups, substructures and enzymes,
  2. molecular formulae of compounds, functional groups or substructures
  3. EC numbers and other IDs registered in BiSSCat.

One can use the text-search option to search the whole of BiSSCat or one can limit the search to compound, FGROUP, enzyme, reaction or SUBSTRUCTURE by selecting the item of interest from the drop-down menu. There are also alphabetically ordered lists of all FGROUPs, compounds and enzymes.


Data source

The SUBSTRUCTURE database was constructed using data on the structures of 10,046 and 247,617 chemical compounds derived from the KEGG and NCI databases, respectively, in MDL Molfile format. For convenience, the original database IDs assigned to compounds have not been changed, so that they can be used to link to the corresponding data in the source databases.

SVG images

Each chemical compound entry has an automatically generated interactive SVG image, which can be used to find the substructure of interest.

How to use the help page

Click 'Help' (1), then the help page will be seen. The 'Help' box is white while you are looking at the help page. Click '[Show all]' in the help page (2) in order to see all contents of the help page.

You will find the corresponding help page whenever you click the 'Help' box. For example, click 'FGROUP' (3) and click 'Help' (4), you will see the help page for FGROUP. Clicking the 'Help' box while seeing the help page leads one to the top of the help page. Clicking one of the other boxes while seeing the help page leads one to the corresponding page (not the help page) (5).

BiSSCat v1.07.31
Developed by Masaaki Kotera, Department of Biochemistry, Trinity College Dublin.
Science Foundation of Ireland is gratefully acknowledged.