EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:30956 - trichloroacetic acid
| Formula | C2HCl3O2 |
| Net Charge | 0 |
| Average Mass | 163.387 |
| Monoisotopic Mass | 161.90421 |
| SMILES | O=C(O)C(Cl)(Cl)Cl |
| InChI | InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7) |
| InChIKey | YNJBWRMUSHSURL-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | carcinogenic agent A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| trichloroacetic acid (CHEBI:30956) has functional parent acetic acid (CHEBI:15366) |
| trichloroacetic acid (CHEBI:30956) has role carcinogenic agent (CHEBI:50903) |
| trichloroacetic acid (CHEBI:30956) has role metabolite (CHEBI:25212) |
| trichloroacetic acid (CHEBI:30956) has role mouse metabolite (CHEBI:75771) |
| trichloroacetic acid (CHEBI:30956) is a monocarboxylic acid (CHEBI:25384) |
| trichloroacetic acid (CHEBI:30956) is a organochlorine compound (CHEBI:36683) |
| trichloroacetic acid (CHEBI:30956) is conjugate acid of trichloroacetate (CHEBI:27455) |
| Incoming Relation(s) |
| TCA-ethadyl (CHEBI:82269) has functional parent trichloroacetic acid (CHEBI:30956) |
| trichloroacetate (CHEBI:27455) is conjugate base of trichloroacetic acid (CHEBI:30956) |
| IUPAC Name |
|---|
| trichloroacetic acid |
| Synonyms | Source |
|---|---|
| TCA | NIST Chemistry WebBook |
| TCA | KEGG COMPOUND |
| trichloracetic acid | NIST Chemistry WebBook |
| Trichloressigsäure | ChEBI |
| Trichloroacetic acid | KEGG COMPOUND |
| trichloroethanoic acid | NIST Chemistry WebBook |
| Citations |
|---|