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Ontologies
ECTO
Environmental Conditions, Treatments and Exposures Ontology
(ECTO)
OWL
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Last submission date April 10, 2024
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ID
http://purl.obolibrary.org/obo/CHEBI_30956
http://purl.obolibrary.org/obo/CHEBI_30956
https://agroportal.lirmm.fr/ontologies/ECTO/CHEBI_30956
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Preferred name
trichloroacetic acid
Synonyms
Trichloroacetic acid
TCA
trichloroacetic acid
Trichloressigsaeure
trichloroethanoic acid
trichloracetic acid
Definitions
A monocarboxylic acid that is acetic acid in which all three methyl hydrogens are substituted by chlorine.
Raw data
oboinowl_gen:hasAlternativeId
CHEBI:27095
CHEBI:9684
obo_purl:RO_0000053
http://purl.obolibrary.org/obo/CHEBI_75771
http://purl.obolibrary.org/obo/CHEBI_50903
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles
OC(=O)C(Cl)(Cl)Cl
obo_purl:charge
0
obo_purl:inchikey
YNJBWRMUSHSURL-UHFFFAOYSA-N
obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_75771
http://purl.obolibrary.org/obo/CHEBI_50903
oboinowl_gen:hasDbXref
PMID:12573897
PMID:21457391
KEGG:D08633
PMID:16298895
MetaCyc:CPD-9675
Beilstein:970119
KEGG:C11150
PMID:21497335
PMID:21269351
Reaxys:970119
Drug_Central:3627
Wikipedia:Trichloroacetic_Acid
PMID:16901594
PMID:21332915
PMID:21523508
PMID:21716542
CAS:76-03-9
PMID:21549800
PMID:16815816
PMID:21529453
Gmelin:2842
obo_purl:IAO_0000115
A monocarboxylic acid that is acetic acid in which all three methyl hydrogens are substituted by chlorine.
skos:notation
CHEBI:30956
oboinowl_gen:hasExactSynonym
Trichloroacetic acid
trichloroacetic acid
obo_purl:mass
163.38624
obo_purl:inchi
InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)
obo_purl:has_functional_parent
http://purl.obolibrary.org/obo/CHEBI_15366
obo_purl:formula
C2HCl3O2
obo_purl:is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_27455
oboinowl_gen:hasOBONamespace
chebi_ontology
rdf:type
http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym
TCA
Trichloressigsaeure
trichloroethanoic acid
trichloracetic acid
oboinowl_gen:id
CHEBI:30956
rdfs:label
trichloroacetic acid
obo_purl:monoisotopicmass
161.90421
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_25384
http://purl.obolibrary.org/obo/CHEBI_36683
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