CHEBI:30956 - trichloroacetic acid

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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 0
Average Mass 163.38624
Monoisotopic Mass 161.904
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).
View more via ChEBI Ontology
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
Synonyms Sources
TCA KEGG COMPOUND
TCA NIST Chemistry WebBook
trichloracetic acid NIST Chemistry WebBook
Trichloressigsäure ChEBI
Trichloroacetic acid KEGG COMPOUND
trichloroethanoic acid NIST Chemistry WebBook
Manual Xrefs Databases
3627 DrugCentral
C11150 KEGG COMPOUND
CPD-9675 MetaCyc
D08633 KEGG DRUG
Trichloroacetic_Acid Wikipedia
View more database links
Registry Numbers Types Sources
2842 Gmelin Registry Number Gmelin
76-03-9 CAS Registry Number KEGG COMPOUND
76-03-9 CAS Registry Number NIST Chemistry WebBook
76-03-9 CAS Registry Number ChemIDplus
970119 Reaxys Registry Number Reaxys
970119 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
12573897 PubMed citation Europe PMC
16298895 PubMed citation Europe PMC
16815816 PubMed citation Europe PMC
16901594 PubMed citation Europe PMC
21269351 PubMed citation Europe PMC
21332915 PubMed citation Europe PMC
21457391 PubMed citation Europe PMC
21497335 PubMed citation Europe PMC
21523508 PubMed citation Europe PMC
21529453 PubMed citation Europe PMC
21549800 PubMed citation Europe PMC
21716542 PubMed citation Europe PMC
Last Modified
22 February 2017