Terephthalic Acid
Everything that changed this flow. Back to the flow
28192a97-8ea9-404c-bcb0-c21795bb07a8
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 | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 4 catalogue altLabel value(s): 'LA 31' (grade code), 'NSC 36973' (registry code), 'PTM 6633' (grade code), 'WR 16262' (grade 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=terephthalicacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'100-21-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c93c2961f3e4e9fe: {'100-21-0': '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 non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['100-21-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_15702']; candidate_pubchem_cids=[1017, 7489, 2765838, 22416364]; selected_pubchem_cids=[7489]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 19,322 | bootstrap_labels | prefLabel | — | [{"@value":"terephthalic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | Bootstrapped prefLabel from legacy name field |
| 19,323 | bootstrap_labels | name | terephthalic acid | — | Purged legacy name field to enforce prefLabel usage |
| 19,433 | bootstrap_labels | synonyms | ["1,4-Benzenedicarboxylic acid","AB1002532","AC1L1OVJ","AKOS000119464","Acide terephtalique","Benzene-p-dicarboxylic ac… | [] | Removed legacy synonyms field in favor of structured labels |
| 62,830 | 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 |
| 62,831 | 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 |
| 219,632 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,483 | normalize_name_case | prefLabel | [{"@value":"terephthalic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | [{"@value":"Terephthalic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 245,151 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6O4"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 245,152 | enrich_references | skos_definition | — | [{"@value":"A benzenedicarboxylic acid carrying carboxy groups at positions 1 and 4. One of three possible isomers of b… | Merged ChEBI/PubChem definitions into skos:definition |
| 245,153 | enrich_references | references | [] | [{"@id":"gmelin:50561","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"cons… | Added references with provenance; cas_numbers=['100-21-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_15702']; candidate_pubchem_cids=[1017, 7489, 2765838, 22416364]; selected_pubchem_cids=[7489]; 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 |
| 253,494 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6O4"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6O4"],"… | rdkit_pre_consensus from 'C1=CC(=CC=C1C(=O)O)C(=O)O'; added: monoisotopic_mass |
| 256,889 | chebi_altlabels | altLabel | [] | [{"@value":"1,4-Benzenedicarboxylic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | Added 5 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 272,294 | consensus_match | altLabel | [{"@value":"1,4-Benzenedicarboxylic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | [{"@value":"1,4-Benzenedicarboxylic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | group_key=terephthalicacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=100-21-0; added Common Chemistry CAS names as altLabel: 1,4-Dicarboxybenzene, 1,4-Phenylenedicarboxylic acid, 4-Carboxybenzoic acid, <em>p</em>-Carboxybenzoic acid, <em>p</em>-Dicarboxybenzene, <em>p</em>-Phthalic acid, Amoco TA 33, LA 31, NSC 36973, PTM 6633, QTA, S-LOP, TA 33LP, TPA (terephthalic acid), WR 16262; object_uuid=fo-c93c2961f3e4e9fe |
| 272,295 | consensus_match | cas_match_labels | — | {"100-21-0":"exactMatch"} | group_key=terephthalicacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'100-21-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c93c2961f3e4e9fe: {'100-21-0': 'exactMatch'} |
| 278,710 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6O4"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6O4"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Terephthalic Acid' |
| 285,493 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6O4"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6O4"],"… | rdkit_post_consensus from 'O=C(O)c1ccc(C(=O)O)cc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,139 | strip_catalogue_altlabels | altLabel | [{"@value":"1,4-Benzenedicarboxylic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | [{"@value":"1,4-Benzenedicarboxylic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | Removed 4 catalogue altLabel value(s): 'LA 31' (grade code), 'NSC 36973' (registry code), 'PTM 6633' (grade code), 'WR 16262' (grade code) |
| 312,433 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/28192a97-8ea9-… | associations resolved on the elementary layer |
| 393,079 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6O4"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6O4"],"… | typed the way the ontology types it |
| 401,852 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260821T1302361922970000/19322 | prefLabel | ef:agent/bootstrap_labels | ef:flow/28192a97-8ea9-404c-bcb0-c21795bb07a8/v0 | ef:flow/28192a97-8ea9-404c-bcb0-c21795bb07a8/v1 |
| ef:activity/change/20260821T1302361922970000/19323 | name | ef:agent/bootstrap_labels | ef:flow/28192a97-8ea9-404c-bcb0-c21795bb07a8/v1 | ef:flow/28192a97-8ea9-404c-bcb0-c21795bb07a8/v2 |
| ef:activity/change/20260821T1302361922970000/19433 | synonyms | ef:agent/bootstrap_labels | ef:flow/28192a97-8ea9-404c-bcb0-c21795bb07a8/v2 | ef:flow/28192a97-8ea9-404c-bcb0-c21795bb07a8/v3 |
| ef:activity/change/20260821T1302361922970000/62830 | context | ef:agent/default_context_mapping | ef:flow/28192a97-8ea9-404c-bcb0-c21795bb07a8/v3 | ef:flow/28192a97-8ea9-404c-bcb0-c21795bb07a8/v4 |
| ef:activity/change/20260821T1302361922970000/62831 | context_iri | ef:agent/default_context_mapping | ef:flow/28192a97-8ea9-404c-bcb0-c21795bb07a8/v4 | ef:flow/28192a97-8ea9-404c-bcb0-c21795bb07a8/v5 |
| ef:activity/change/20260821T1302361922970000/219632 | unit_iri | ef:agent/unit_normalization | ef:flow/28192a97-8ea9-404c-bcb0-c21795bb07a8/v5 | ef:flow/28192a97-8ea9-404c-bcb0-c21795bb07a8/v6 |
| ef:activity/change/20260821T1302361922970000/225483 | prefLabel | ef:agent/normalize_name_case | ef:flow/28192a97-8ea9-404c-bcb0-c21795bb07a8/v6 | ef:flow/28192a97-8ea9-404c-bcb0-c21795bb07a8/v7 |
| ef:activity/change/20260821T1302361922970000/245151 | properties | ef:agent/enrich_references | ef:flow/28192a97-8ea9-404c-bcb0-c21795bb07a8/v7 | ef:flow/28192a97-8ea9-404c-bcb0-c21795bb07a8/v8 |
| ef:activity/change/20260821T1302361922970000/245152 | skos_definition | ef:agent/enrich_references | ef:flow/28192a97-8ea9-404c-bcb0-c21795bb07a8/v8 | ef:flow/28192a97-8ea9-404c-bcb0-c21795bb07a8/v9 |
| ef:activity/change/20260821T1302361922970000/245153 | references | ef:agent/enrich_references | ef:flow/28192a97-8ea9-404c-bcb0-c21795bb07a8/v9 | ef:flow/28192a97-8ea9-404c-bcb0-c21795bb07a8/v10 |
| ef:activity/change/20260821T1302361922970000/253494 | properties | ef:agent/rdkit_pre_consensus | ef:flow/28192a97-8ea9-404c-bcb0-c21795bb07a8/v10 | ef:flow/28192a97-8ea9-404c-bcb0-c21795bb07a8/v11 |
| ef:activity/change/20260821T1302361922970000/256889 | altLabel | ef:agent/chebi_altlabels | ef:flow/28192a97-8ea9-404c-bcb0-c21795bb07a8/v11 | ef:flow/28192a97-8ea9-404c-bcb0-c21795bb07a8/v12 |
| ef:activity/change/20260821T1302361922970000/272294 | altLabel | ef:agent/consensus_match | ef:flow/28192a97-8ea9-404c-bcb0-c21795bb07a8/v12 | ef:flow/28192a97-8ea9-404c-bcb0-c21795bb07a8/v13 |
| ef:activity/change/20260821T1302361922970000/272295 | cas_match_labels | ef:agent/consensus_match | ef:flow/28192a97-8ea9-404c-bcb0-c21795bb07a8/v13 | ef:flow/28192a97-8ea9-404c-bcb0-c21795bb07a8/v14 |
| ef:activity/change/20260821T1302361922970000/278710 | properties | ef:agent/opsin_iupac | ef:flow/28192a97-8ea9-404c-bcb0-c21795bb07a8/v14 | ef:flow/28192a97-8ea9-404c-bcb0-c21795bb07a8/v15 |
| ef:activity/change/20260821T1302361922970000/285493 | properties | ef:agent/rdkit_post_consensus | ef:flow/28192a97-8ea9-404c-bcb0-c21795bb07a8/v15 | ef:flow/28192a97-8ea9-404c-bcb0-c21795bb07a8/v16 |
| ef:activity/change/20260821T1302361922970000/291139 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/28192a97-8ea9-404c-bcb0-c21795bb07a8/v16 | ef:flow/28192a97-8ea9-404c-bcb0-c21795bb07a8/v17 |
| ef:activity/change/20260821T1302361922970000/312433 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/28192a97-8ea9-404c-bcb0-c21795bb07a8/v17 | ef:flow/28192a97-8ea9-404c-bcb0-c21795bb07a8/v18 |
| ef:activity/change/20260821T1302361922970000/393079 | properties | ef:agent/normalise_property_values | ef:flow/28192a97-8ea9-404c-bcb0-c21795bb07a8/v18 | ef:flow/28192a97-8ea9-404c-bcb0-c21795bb07a8/v19 |
| ef:activity/change/20260821T1302361922970000/401852 | types | ef:agent/link_flows_to_their_substance | ef:flow/28192a97-8ea9-404c-bcb0-c21795bb07a8/v19 | ef:flow/28192a97-8ea9-404c-bcb0-c21795bb07a8/v20 |