BOND

• What is BOND?
• BiSSCat Structure Search option
• Click here to see all contents in the help page.

What is BOND?

BOND is a chemical bond consisting of two non-hydrogen atoms, one of the pre-calculated SUBSTRUCTURE types. BOND entries can be found using Substructure Search option.

• S0000001 CC bond in 6-membered aromatic ring
• S0001023 CN bond in peptide
• S0001573 CO bond in acetal
• S0002949 CS bond in thioether
• S0048646 CN bond in nucleoside

BiSSCat Structure Search option

The BiSSCat Structure Search option can be used to look up compounds, functional groups, and substructures based on structural information or physicochemical properties.

• Elements: This option is used to specify the elements comprising functional groups or substructures (e.g. CO2 for carboxylate, C6O6 for sugars, etc). The number of hydrogen atoms is not taken into account unless specified explicitly.
• The database is divided into a number of subsections based on the type of data, as follows:
  • compound
  • fgroup: an index of functional groups and substructures
  • substructure: a collection of pre-calculated substructures
    • atom: an atom with physicochemical/electrochemical properties
    • vici: a central non-hydrogen atom and the atoms attached to it
    • bond: a chemical bond consisting of two non-hydrogen atoms
    • ring: a cyclic substructure
    • frag: a fragment obtained when all rotatable bonds are cut
    • skel: a carbon skeleton/backbone
    • conj: conjugated double bonds
• Properties: physicochemical and electrochemical properties