EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
We are looking for a new Chemistry curator to join the ChEBI team. Find out more about it here.
CHEBI:759638 - denatonium acetate monohydrate
| Formula | H2O.C21H29N2O.C2H3O2 |
| Net Charge | 0 |
| Average Mass | 402.535 |
| Monoisotopic Mass | 402.25186 |
| SMILES | CC(=O)[O-].CC[N+](CC)(CC(=O)Nc1c(C)cccc1C)Cc1ccccc1.O |
| InChI | InChI=1S/C21H28N2O.C2H4O2.H2O/c1-5-23(6-2,15-19-13-8-7-9-14-19)16-20(24)22-21-17(3)11-10-12-18(21)4;1-2(3)4;/h7-14H,5-6,15-16H2,1-4H3;1H3,(H,3,4);1H2 |
| InChIKey | GNXLNAUMSDPCGP-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Role: | anti-obesity agent Any substance which is used to reduce or control weight. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| denatonium acetate monohydrate (CHEBI:759638) has role anti-obesity agent (CHEBI:74518) |
| denatonium acetate monohydrate (CHEBI:759638) is a amino acid amide (CHEBI:22475) |
| Synonyms | Source |
|---|---|
| Ard-101 | ChEMBL |
| Denatonium acetate monohydrate | ChEMBL |