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> Main
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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Read full article at Wikipedia
Formula
C2HCl3O2
Net Charge
0
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 (Br
o
nsted 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
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