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Trichloroacetic Acid

UUID 8c601e55-88c1-4496-b9e7-efe845bf5118
Flow Object IDfo-85f7969b8b904509
Source EF 3.1
Context Environmental → Ground → Agricultural
CAS Numbers 76-03-9
EC Numbers 200-927-2
prefLabel ⓘ
Language Value Provenance
en Trichloroacetic Acid
altLabel ⓘ
Language Value Provenance
en Trichloressigsaeure
en trichloracetic acid
en trichloroethanoic acid
en 2,2,2-Trichloroacetic acid
en Acetic acid, 2,2,2-trichloro-
en Acetic acid, trichloro-
en Aceto-Caustin
en Amchem Grass Killer
en MeSH ID: D014238
en NSC 215204
en NSC 77363
en TCA (acid)
en TCAA
en TKhU
en TKhUK
en TCA
Definitions
Language Value Provenance
en A monocarboxylic acid that is acetic acid in which all three methyl hydrogens are substituted by chlorine.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey YNJBWRMUSHSURL-UHFFFAOYSA-N
InChI InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)
IUPAC name 2,2,2-trichloroacetic acid, 2,2,2-tris(chloranyl)ethanoic acid
Molecular formula C2HCl3O2
Molecular mass 163.387
Monoisotopic mass 161.90421
SMILES C(=O)(C(Cl)(Cl)Cl)O, O=C(O)C(Cl)(Cl)Cl

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 8c601e55-88c1-4496-b9e7-efe845bf5118 trichloroacetic acid

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 trichloroacetic acid Emissions/Emissions to soil/Emissions to agricultural soil kg exactMatch —

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 2 — consensus_match group_key=trichloroaceticacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=76-03-9; added Common Chemistry CAS names as altLabel: 2,2,2-Trichloroacetic acid, Acetic acid, 2,2,2-trichloro-, Acetic acid, trichloro-, Aceto-Caustin, Amchem Grass Killer, MeSH ID: D014238, NSC 215204, NSC 77363, TCA (acid), TCAA, TKhU, TKhUK, Trichloroacetic acid; object_uuid=fo-85f7969b8b904509
cas_match_labels 1 — consensus_match group_key=trichloroaceticacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'76-03-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-85f7969b8b904509: {'76-03-9': 'exactMatch'}
prefLabel 1 — consensus_match group_key=trichloroaceticacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=76-03-9; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=3.1556; pubchem_entropy=1.5850; current_score=3.3456; pubchem_score=1.6150; score_improvement=1.7306; threshold=0.400; min_margin=0.400; object_uuid=fo-85f7969b8b904509

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyAgricultural

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': 'Trichloroacetic Acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'TCA', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:76-03-9', 'name:TCA', 'https://pubchem.ncbi.nlm.nih.gov/compound/6421'], 'prov:wasDerivedFrom': 'pubchem preferred label selection'}}] group_key=trichloroaceticacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=76-03-9; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=3.1556; pubchem_entropy=1.5850; current_score=3.3456; pubchem_score=1.6150; score_improvement=1.7306; threshold=0.400; min_margin=0.400; object_uuid=fo-85f7969b8b904509
altLabel [{'@value': 'Trichloressigsaeure', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Trichloressigsaeure', 'http://purl.obolibrary.org/obo/CHEBI_30956', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'trichloracetic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:trichloracetic acid', 'http://purl.obolibrary.org/obo/CHEBI_30956', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'trichloroethanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:trichloroethanoic acid', 'http://purl.obolibrary.org/obo/CHEBI_30956', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': 'Trichloressigsaeure', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Trichloressigsaeure', 'http://purl.obolibrary.org/obo/CHEBI_30956', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'trichloracetic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:trichloracetic acid', 'http://purl.obolibrary.org/obo/CHEBI_30956', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'trichloroethanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:trichloroethanoic acid', 'http://purl.obolibrary.org/obo/CHEBI_30956', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Trichloroacetic Acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original EF name retained as altLabel'}}] group_key=trichloroaceticacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=76-03-9; added current EF name as altLabel when prefLabel differs; object_uuid=fo-85f7969b8b904509
altLabel [{'@value': 'Trichloressigsaeure', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Trichloressigsaeure', 'http://purl.obolibrary.org/obo/CHEBI_30956', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'trichloracetic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:trichloracetic acid', 'http://purl.obolibrary.org/obo/CHEBI_30956', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'trichloroethanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:trichloroethanoic acid', 'http://purl.obolibrary.org/obo/CHEBI_30956', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Trichloroacetic Acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original EF name retained as altLabel'}}] [{'@value': 'Trichloressigsaeure', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Trichloressigsaeure', 'http://purl.obolibrary.org/obo/CHEBI_30956', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'trichloracetic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:trichloracetic acid', 'http://purl.obolibrary.org/obo/CHEBI_30956', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'trichloroethanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:trichloroethanoic acid', 'http://purl.obolibrary.org/obo/CHEBI_30956', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2,2,2-Trichloroacetic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:76-03-9', 'https://commonchemistry.cas.org/detail?cas_rn=76-03-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetic acid, 2,2,2-trichloro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:76-03-9', 'https://commonchemistry.cas.org/detail?cas_rn=76-03-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetic acid, trichloro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:76-03-9', 'https://commonchemistry.cas.org/detail?cas_rn=76-03-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Aceto-Caustin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:76-03-9', 'https://commonchemistry.cas.org/detail?cas_rn=76-03-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Amchem Grass Killer', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:76-03-9', 'https://commonchemistry.cas.org/detail?cas_rn=76-03-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'MeSH ID: D014238', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:76-03-9', 'https://commonchemistry.cas.org/detail?cas_rn=76-03-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 215204', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:76-03-9', 'https://commonchemistry.cas.org/detail?cas_rn=76-03-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 77363', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:76-03-9', 'https://commonchemistry.cas.org/detail?cas_rn=76-03-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'TCA (acid)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:76-03-9', 'https://commonchemistry.cas.org/detail?cas_rn=76-03-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'TCAA', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:76-03-9', 'https://commonchemistry.cas.org/detail?cas_rn=76-03-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'TKhU', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:76-03-9', 'https://commonchemistry.cas.org/detail?cas_rn=76-03-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'TKhUK', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:76-03-9', 'https://commonchemistry.cas.org/detail?cas_rn=76-03-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Trichloroacetic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:76-03-9', 'https://commonchemistry.cas.org/detail?cas_rn=76-03-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=trichloroaceticacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=76-03-9; added Common Chemistry CAS names as altLabel: 2,2,2-Trichloroacetic acid, Acetic acid, 2,2,2-trichloro-, Acetic acid, trichloro-, Aceto-Caustin, Amchem Grass Killer, MeSH ID: D014238, NSC 215204, NSC 77363, TCA (acid), TCAA, TKhU, TKhUK, Trichloroacetic acid; object_uuid=fo-85f7969b8b904509
cas_match_labels None {'76-03-9': 'exactMatch'} group_key=trichloroaceticacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'76-03-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-85f7969b8b904509: {'76-03-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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