trichloroacetic acid (CHEBI:30956)

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ChEBI Name	trichloroacetic acid

ChEBI ID	CHEBI:30956

Definition	A monocarboxylic acid that is acetic acid in which all three methyl hydrogens are substituted by chlorine.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:9684, CHEBI:27095

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Formula

C2HCl3O2

Net Charge

Average Mass

163.38624

Monoisotopic Mass

161.90421

InChI

InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)

InChIKey

YNJBWRMUSHSURL-UHFFFAOYSA-N

SMILES

OC(=O)C(Cl)(Cl)Cl

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. 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).

ChEBI Ontology
Outgoing	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	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

Last Modified

22 February 2017