Tetramethylammonium Chloride
Everything that changed this flow. Back to the flow
f189def5-1e77-4569-a6ad-a86eb5f9a6a2
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 1 catalogue altLabel value(s): 'TMAC 100' (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=tetramethylammoniumchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'75-57-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fd3859aa070b6feb: {'75-57-0': '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 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=['75-57-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_7070']; candidate_pubchem_cids=[6379, 6380, 3248084]; selected_pubchem_cids=[6379]; 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 |
|---|---|---|---|---|---|
| 18,736 | bootstrap_labels | prefLabel | — | [{"@value":"tetramethylammonium chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | Bootstrapped prefLabel from legacy name field |
| 18,737 | bootstrap_labels | name | tetramethylammonium chloride | — | Purged legacy name field to enforce prefLabel usage |
| 18,738 | bootstrap_labels | synonyms | ["tetramethylammoniumchloride","n,n,n-trimethylmethanaminium, chloride","methanaminium, n,n,n-trimethyl-, chloride","te… | [] | Removed legacy synonyms field in favor of structured labels |
| 194,056 | 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 |
| 194,057 | 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 |
| 219,456 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,358 | normalize_name_case | prefLabel | [{"@value":"tetramethylammonium chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | [{"@value":"Tetramethylammonium Chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 244,657 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H12ClN",… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 244,658 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 244,659 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.000.801","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['75-57-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_7070']; candidate_pubchem_cids=[6379, 6380, 3248084]; selected_pubchem_cids=[6379]; 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 |
| 253,356 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H12ClN",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H12ClN",… | rdkit_pre_consensus from 'C[N+](C)(C)C.[Cl-]'; added: monoisotopic_mass |
| 256,834 | chebi_altlabels | altLabel | [] | [{"@value":"N,N,N-Trimethylmethanaminium chloride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","… | Added 1 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 272,477 | consensus_match | altLabel | [{"@value":"N,N,N-Trimethylmethanaminium chloride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","… | [{"@value":"N,N,N-Trimethylmethanaminium chloride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","… | group_key=tetramethylammoniumchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=75-57-0; added Common Chemistry CAS names as altLabel: Ammonium, tetramethyl-, chloride, Methanaminium, <em>N</em>,<em>N</em>,<em>N</em>-trimethyl-, chloride, Methanaminium, <em>N</em>,<em>N</em>,<em>N</em>-trimethyl-, chloride (1:1), TMAC 100, Tetramine, Tetramine chloride; object_uuid=fo-fd3859aa070b6feb |
| 272,478 | consensus_match | cas_match_labels | — | {"75-57-0":"exactMatch"} | group_key=tetramethylammoniumchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'75-57-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fd3859aa070b6feb: {'75-57-0': 'exactMatch'} |
| 278,564 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H12ClN",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H12ClN",… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Tetramethylammonium Chloride' |
| 285,337 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H12ClN",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H12ClN",… | rdkit_post_consensus from 'C[N+](C)(C)C.[Cl-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,023 | strip_catalogue_altlabels | altLabel | [{"@value":"N,N,N-Trimethylmethanaminium chloride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","… | [{"@value":"N,N,N-Trimethylmethanaminium chloride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","… | Removed 1 catalogue altLabel value(s): 'TMAC 100' (grade code) |
| 378,058 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/f189def5-1e77-… | associations resolved on the elementary layer |
| 392,931 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H12ClN",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H12ClN",… | typed the way the ontology types it |
| 401,638 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | 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/20260821T1122181958110000/18736 | prefLabel | ef:agent/bootstrap_labels | ef:flow/f189def5-1e77-4569-a6ad-a86eb5f9a6a2/v0 | ef:flow/f189def5-1e77-4569-a6ad-a86eb5f9a6a2/v1 |
| ef:activity/change/20260821T1122181958110000/18737 | name | ef:agent/bootstrap_labels | ef:flow/f189def5-1e77-4569-a6ad-a86eb5f9a6a2/v1 | ef:flow/f189def5-1e77-4569-a6ad-a86eb5f9a6a2/v2 |
| ef:activity/change/20260821T1122181958110000/18738 | synonyms | ef:agent/bootstrap_labels | ef:flow/f189def5-1e77-4569-a6ad-a86eb5f9a6a2/v2 | ef:flow/f189def5-1e77-4569-a6ad-a86eb5f9a6a2/v3 |
| ef:activity/change/20260821T1122181958110000/194056 | context | ef:agent/default_context_mapping | ef:flow/f189def5-1e77-4569-a6ad-a86eb5f9a6a2/v3 | ef:flow/f189def5-1e77-4569-a6ad-a86eb5f9a6a2/v4 |
| ef:activity/change/20260821T1122181958110000/194057 | context_iri | ef:agent/default_context_mapping | ef:flow/f189def5-1e77-4569-a6ad-a86eb5f9a6a2/v4 | ef:flow/f189def5-1e77-4569-a6ad-a86eb5f9a6a2/v5 |
| ef:activity/change/20260821T1122181958110000/219456 | unit_iri | ef:agent/unit_normalization | ef:flow/f189def5-1e77-4569-a6ad-a86eb5f9a6a2/v5 | ef:flow/f189def5-1e77-4569-a6ad-a86eb5f9a6a2/v6 |
| ef:activity/change/20260821T1122181958110000/225358 | prefLabel | ef:agent/normalize_name_case | ef:flow/f189def5-1e77-4569-a6ad-a86eb5f9a6a2/v6 | ef:flow/f189def5-1e77-4569-a6ad-a86eb5f9a6a2/v7 |
| ef:activity/change/20260821T1122181958110000/244657 | properties | ef:agent/enrich_references | ef:flow/f189def5-1e77-4569-a6ad-a86eb5f9a6a2/v7 | ef:flow/f189def5-1e77-4569-a6ad-a86eb5f9a6a2/v8 |
| ef:activity/change/20260821T1122181958110000/244658 | skos_definition | ef:agent/enrich_references | ef:flow/f189def5-1e77-4569-a6ad-a86eb5f9a6a2/v8 | ef:flow/f189def5-1e77-4569-a6ad-a86eb5f9a6a2/v9 |
| ef:activity/change/20260821T1122181958110000/244659 | references | ef:agent/enrich_references | ef:flow/f189def5-1e77-4569-a6ad-a86eb5f9a6a2/v9 | ef:flow/f189def5-1e77-4569-a6ad-a86eb5f9a6a2/v10 |
| ef:activity/change/20260821T1122181958110000/253356 | properties | ef:agent/rdkit_pre_consensus | ef:flow/f189def5-1e77-4569-a6ad-a86eb5f9a6a2/v10 | ef:flow/f189def5-1e77-4569-a6ad-a86eb5f9a6a2/v11 |
| ef:activity/change/20260821T1122181958110000/256834 | altLabel | ef:agent/chebi_altlabels | ef:flow/f189def5-1e77-4569-a6ad-a86eb5f9a6a2/v11 | ef:flow/f189def5-1e77-4569-a6ad-a86eb5f9a6a2/v12 |
| ef:activity/change/20260821T1122181958110000/272477 | altLabel | ef:agent/consensus_match | ef:flow/f189def5-1e77-4569-a6ad-a86eb5f9a6a2/v12 | ef:flow/f189def5-1e77-4569-a6ad-a86eb5f9a6a2/v13 |
| ef:activity/change/20260821T1122181958110000/272478 | cas_match_labels | ef:agent/consensus_match | ef:flow/f189def5-1e77-4569-a6ad-a86eb5f9a6a2/v13 | ef:flow/f189def5-1e77-4569-a6ad-a86eb5f9a6a2/v14 |
| ef:activity/change/20260821T1122181958110000/278564 | properties | ef:agent/opsin_iupac | ef:flow/f189def5-1e77-4569-a6ad-a86eb5f9a6a2/v14 | ef:flow/f189def5-1e77-4569-a6ad-a86eb5f9a6a2/v15 |
| ef:activity/change/20260821T1122181958110000/285337 | properties | ef:agent/rdkit_post_consensus | ef:flow/f189def5-1e77-4569-a6ad-a86eb5f9a6a2/v15 | ef:flow/f189def5-1e77-4569-a6ad-a86eb5f9a6a2/v16 |
| ef:activity/change/20260821T1122181958110000/291023 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/f189def5-1e77-4569-a6ad-a86eb5f9a6a2/v16 | ef:flow/f189def5-1e77-4569-a6ad-a86eb5f9a6a2/v17 |
| ef:activity/change/20260821T1122181958110000/378058 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/f189def5-1e77-4569-a6ad-a86eb5f9a6a2/v17 | ef:flow/f189def5-1e77-4569-a6ad-a86eb5f9a6a2/v18 |
| ef:activity/change/20260821T1122181958110000/392931 | properties | ef:agent/normalise_property_values | ef:flow/f189def5-1e77-4569-a6ad-a86eb5f9a6a2/v18 | ef:flow/f189def5-1e77-4569-a6ad-a86eb5f9a6a2/v19 |
| ef:activity/change/20260821T1122181958110000/401638 | types | ef:agent/link_flows_to_their_substance | ef:flow/f189def5-1e77-4569-a6ad-a86eb5f9a6a2/v19 | ef:flow/f189def5-1e77-4569-a6ad-a86eb5f9a6a2/v20 |