Functional Group

  1. Functional groups
  2. amine or ammonium
  3. ammonium
  4. alkylammonium

alkylammonium ammonium_aliphatic parent group

Within: ammonium.

A compound has alkylammonium when it has any of the groups below. A parent group is never matched itself, and its count of a compound is the number of occurrences of all of them together.

Groups directly under it

alkylammonium 1° ammonium_primary
Query graph of alkylammonium 1°
within: alkylammonium
alkylammonium 2° ammonium_secondary
Query graph of alkylammonium 2°
within: alkylammonium
alkylammonium 3° ammonium_tertiary
Query graph of alkylammonium 3°
within: alkylammonium
alkylammonium 4° ammonium_quaternary
Query graph of alkylammonium 4°
within: alkylammonium

In the ATB

  • 23,439 annotated compounds have it;
  • 28 of them have experimental reference data;
  • 55 are monofunctional: this is their only group, once (rings count as groups, so a phenol is not).

The annotated compounds are those with experimental reference data plus small, neutral organic compounds (up to 12 heavy atoms), not every ATB molecule. Through the API: GET /api/v1/molecules?functional_group=ammonium_aliphatic.

Annotation scheme 2.