Trichloroacetic Acid
Everything that changed this flow. Back to the flow
2d2387f4-4529-42ce-8322-22469da61316
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| altLabel | 4 | chebi_altlabels, consensus_match, strip_catalogue_altlabels, strip_cross_object_altlabels | Removed 2 catalogue altLabel value(s): 'NSC 215204' (registry code), 'NSC 77363' (registry code) |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| cas_match_labels | 1 | consensus_match | 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'} |
| concept_associations | 1 | carry_associations_onto_flows | associations resolved on the elementary layer |
| context | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | 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 |
| skos_definition | 1 | enrich_references | Merged ChEBI/PubChem definitions into skos:definition |
| synonyms | 1 | bootstrap_labels | Removed legacy synonyms field in favor of structured labels |
| types | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| unit_iri | 1 | unit_normalization | Unit IRI set from normalization of 'kg' |
Where several steps wrote one field, the last one won — and the log below shows the sequence.
Changes
21| # | 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 |
| 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 |
| 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 |
| 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) |
| 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 |
| 389,541 | normalise_property_values | 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"]… | typed the way the ontology types it |
| 396,737 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
21 activitiesOne activity per change: which version of the flow it consumed, and which it produced. The values are on the change with the same number — stored once, not twice.
| Activity | Field | Agent | Used | Generated |
|---|---|---|---|---|
| ef:activity/change/20260821T1554374006150000/6443 | prefLabel | ef:agent/bootstrap_labels | ef:flow/2d2387f4-4529-42ce-8322-22469da61316/v0 | ef:flow/2d2387f4-4529-42ce-8322-22469da61316/v1 |
| ef:activity/change/20260821T1554374006150000/6444 | name | ef:agent/bootstrap_labels | ef:flow/2d2387f4-4529-42ce-8322-22469da61316/v1 | ef:flow/2d2387f4-4529-42ce-8322-22469da61316/v2 |
| ef:activity/change/20260821T1554374006150000/20274 | synonyms | ef:agent/bootstrap_labels | ef:flow/2d2387f4-4529-42ce-8322-22469da61316/v2 | ef:flow/2d2387f4-4529-42ce-8322-22469da61316/v3 |
| ef:activity/change/20260821T1554374006150000/66856 | context | ef:agent/default_context_mapping | ef:flow/2d2387f4-4529-42ce-8322-22469da61316/v3 | ef:flow/2d2387f4-4529-42ce-8322-22469da61316/v4 |
| ef:activity/change/20260821T1554374006150000/66857 | context_iri | ef:agent/default_context_mapping | ef:flow/2d2387f4-4529-42ce-8322-22469da61316/v4 | ef:flow/2d2387f4-4529-42ce-8322-22469da61316/v5 |
| ef:activity/change/20260821T1554374006150000/215491 | unit_iri | ef:agent/unit_normalization | ef:flow/2d2387f4-4529-42ce-8322-22469da61316/v5 | ef:flow/2d2387f4-4529-42ce-8322-22469da61316/v6 |
| ef:activity/change/20260821T1554374006150000/222573 | prefLabel | ef:agent/normalize_name_case | ef:flow/2d2387f4-4529-42ce-8322-22469da61316/v6 | ef:flow/2d2387f4-4529-42ce-8322-22469da61316/v7 |
| ef:activity/change/20260821T1554374006150000/233371 | properties | ef:agent/enrich_references | ef:flow/2d2387f4-4529-42ce-8322-22469da61316/v7 | ef:flow/2d2387f4-4529-42ce-8322-22469da61316/v8 |
| ef:activity/change/20260821T1554374006150000/233372 | skos_definition | ef:agent/enrich_references | ef:flow/2d2387f4-4529-42ce-8322-22469da61316/v8 | ef:flow/2d2387f4-4529-42ce-8322-22469da61316/v9 |
| ef:activity/change/20260821T1554374006150000/233373 | references | ef:agent/enrich_references | ef:flow/2d2387f4-4529-42ce-8322-22469da61316/v9 | ef:flow/2d2387f4-4529-42ce-8322-22469da61316/v10 |
| ef:activity/change/20260821T1554374006150000/250101 | properties | ef:agent/rdkit_pre_consensus | ef:flow/2d2387f4-4529-42ce-8322-22469da61316/v10 | ef:flow/2d2387f4-4529-42ce-8322-22469da61316/v11 |
| ef:activity/change/20260821T1554374006150000/255175 | altLabel | ef:agent/chebi_altlabels | ef:flow/2d2387f4-4529-42ce-8322-22469da61316/v11 | ef:flow/2d2387f4-4529-42ce-8322-22469da61316/v12 |
| ef:activity/change/20260821T1554374006150000/257426 | altLabel | ef:agent/strip_cross_object_altlabels | ef:flow/2d2387f4-4529-42ce-8322-22469da61316/v12 | ef:flow/2d2387f4-4529-42ce-8322-22469da61316/v13 |
| ef:activity/change/20260821T1554374006150000/272837 | altLabel | ef:agent/consensus_match | ef:flow/2d2387f4-4529-42ce-8322-22469da61316/v13 | ef:flow/2d2387f4-4529-42ce-8322-22469da61316/v14 |
| ef:activity/change/20260821T1554374006150000/272838 | cas_match_labels | ef:agent/consensus_match | ef:flow/2d2387f4-4529-42ce-8322-22469da61316/v14 | ef:flow/2d2387f4-4529-42ce-8322-22469da61316/v15 |
| ef:activity/change/20260821T1554374006150000/275238 | properties | ef:agent/opsin_iupac | ef:flow/2d2387f4-4529-42ce-8322-22469da61316/v15 | ef:flow/2d2387f4-4529-42ce-8322-22469da61316/v16 |
| ef:activity/change/20260821T1554374006150000/281741 | properties | ef:agent/rdkit_post_consensus | ef:flow/2d2387f4-4529-42ce-8322-22469da61316/v16 | ef:flow/2d2387f4-4529-42ce-8322-22469da61316/v17 |
| ef:activity/change/20260821T1554374006150000/288569 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/2d2387f4-4529-42ce-8322-22469da61316/v17 | ef:flow/2d2387f4-4529-42ce-8322-22469da61316/v18 |
| ef:activity/change/20260821T1554374006150000/314445 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/2d2387f4-4529-42ce-8322-22469da61316/v18 | ef:flow/2d2387f4-4529-42ce-8322-22469da61316/v19 |
| ef:activity/change/20260821T1554374006150000/389541 | properties | ef:agent/normalise_property_values | ef:flow/2d2387f4-4529-42ce-8322-22469da61316/v19 | ef:flow/2d2387f4-4529-42ce-8322-22469da61316/v20 |
| ef:activity/change/20260821T1554374006150000/396737 | types | ef:agent/link_flows_to_their_substance | ef:flow/2d2387f4-4529-42ce-8322-22469da61316/v20 | ef:flow/2d2387f4-4529-42ce-8322-22469da61316/v21 |