Trichloroacetic Acid
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-85f7969b8b904509
Changes
58| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 6,443 | bootstrap_labels | prefLabel | — | [{"@value":"trichloroacetic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Bootstrapped prefLabel from legacy name field |
| 6,444 | bootstrap_labels | name | trichloroacetic acid | — | Purged legacy name field to enforce prefLabel usage |
| 6,445 | bootstrap_labels | synonyms | ["2,2,2-trichloroacetic acid","AB1003175","AC1L1MHU","AC1Q71R9","AC1Q71RA","AKOS000118939","Acetic acid, 2,2,2-trichlor… | [] | Removed legacy synonyms field in favor of structured labels |
| 20,274 | bootstrap_labels | synonyms | ["tca(iso)","trichloroaceticacid","aceticacid,trichloro","tca","trichloroaceticacid(tca)","2,2,2-trichloroacetate","2,2… | [] | Removed legacy synonyms field in favor of structured labels |
| 31,602 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 31,603 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 49,562 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 49,563 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 66,856 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 66,857 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 84,502 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 84,503 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 109,178 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 109,179 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 128,830 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 128,831 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 130,184 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 130,185 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 133,348 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 133,349 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 138,300 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 138,301 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 176,078 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 176,079 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 181,866 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 181,867 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 196,022 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 196,023 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 199,982 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 199,983 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 215,491 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,573 | normalize_name_case | prefLabel | [{"@value":"trichloroacetic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | [{"@value":"Trichloroacetic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 233,371 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2HCl3O2"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 233,372 | enrich_references | skos_definition | — | [{"@value":"A monocarboxylic acid that is acetic acid in which all three methyl hydrogens are substituted by chlorine."… | Merged ChEBI/PubChem definitions into skos:definition |
| 233,373 | enrich_references | references | [] | [{"@id":"drugcentral:3627","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['76-03-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_30956']; candidate_pubchem_cids=[6421, 583013, 10740259, 23223116]; selected_pubchem_cids=[6421]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| 250,101 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2HCl3O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2HCl3O2"]… | rdkit_pre_consensus from 'C(=O)(C(Cl)(Cl)Cl)O'; added: monoisotopic_mass |
| 255,175 | chebi_altlabels | altLabel | [] | [{"@value":"TCA","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-f… | Added 4 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 257,426 | strip_cross_object_altlabels | altLabel | [{"@value":"TCA","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-f… | [{"@value":"Trichloressigsaeure","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | Removed 1 altLabel value(s) that duplicate another flow object's prefLabel: 'TCA' |
| 272,837 | consensus_match | altLabel | [{"@value":"Trichloressigsaeure","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | [{"@value":"Trichloressigsaeure","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | group_key=trichloroaceticacid||dimension=Environmental > media=Air > strata=Long-term; 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, TCA (acid), TCAA, TKhU, TKhUK; object_uuid=fo-85f7969b8b904509 |
| 272,838 | consensus_match | cas_match_labels | — | {"76-03-9":"exactMatch"} | group_key=trichloroaceticacid||dimension=Environmental > media=Air > strata=Long-term; 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'} |
| 275,238 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2HCl3O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2HCl3O2"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Trichloroacetic Acid' |
| 281,741 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2HCl3O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2HCl3O2"]… | rdkit_post_consensus from 'O=C(O)C(Cl)(Cl)Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,569 | strip_catalogue_altlabels | altLabel | [{"@value":"Trichloressigsaeure","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | [{"@value":"Trichloressigsaeure","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | Removed 2 catalogue altLabel value(s): 'NSC 215204' (registry code), 'NSC 77363' (registry code) |
| 296,840 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/08315c85-ee6b-… | associations resolved on the elementary layer |
| 305,808 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/14984ca3-f1bc-… | associations resolved on the elementary layer |
| 314,445 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2d2387f4-4529-… | associations resolved on the elementary layer |
| 323,265 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/48bc3767-c90b-… | associations resolved on the elementary layer |
| 335,588 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/6420537b-e094-… | associations resolved on the elementary layer |
| 345,416 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/84e77d9e-f3ec-… | associations resolved on the elementary layer |
| 346,092 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/873e89ba-0241-… | associations resolved on the elementary layer |