N,n,n-trimethyl-3-(octadecyloxy)propan-1-ammonium Chloride
Everything that changed this flow. Back to the flow
87eb304d-166a-4cc4-848a-2140c201b80b
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 | 2 | consensus_match, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| 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=n,n,n-trimethyl-3-(octadecyloxy)propan-1-ammoniumchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'23328-71-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7a3fd237e776253d: {'23328-71-4': '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, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['23328-71-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[18519353]; selected_pubchem_cids=[18519353]; 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
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 11,226 | bootstrap_labels | prefLabel | — | [{"@value":"n,n,n-trimethyl-3-(octadecyloxy)propan-1-ammonium chloride","@language":"en","source":{"prov:wasGeneratedBy… | Bootstrapped prefLabel from legacy name field |
| 11,227 | bootstrap_labels | name | n,n,n-trimethyl-3-(octadecyloxy)propan-1-ammonium chloride | — | Purged legacy name field to enforce prefLabel usage |
| 11,228 | bootstrap_labels | synonyms | ["organic","quartamine-80k-r"] | [] | Removed legacy synonyms field in favor of structured labels |
| 130,586 | 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) |
| 130,587 | 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) |
| 217,060 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,714 | normalize_name_case | prefLabel | [{"@value":"n,n,n-trimethyl-3-(octadecyloxy)propan-1-ammonium chloride","@language":"en","source":{"prov:wasGeneratedBy… | [{"@value":"N,n,n-trimethyl-3-(octadecyloxy)propan-1-ammonium Chloride","@language":"en","source":{"prov:wasGeneratedBy… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 237,861 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H52ClNO… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 237,862 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 237,863 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.108.560","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['23328-71-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[18519353]; selected_pubchem_cids=[18519353]; 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 |
| 251,386 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H52ClNO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H52ClNO… | rdkit_pre_consensus from 'CCCCCCCCCCCCCCCCCCOCCC[N+](C)(C)C.[Cl-]'; added: molecular_mass, monoisotopic_mass |
| 269,166 | consensus_match | altLabel | [] | [{"@value":"1-Propanaminium, <em>N</em>,<em>N</em>,<em>N</em>-trimethyl-3-(octadecyloxy)-, chloride","@language":"en","… | group_key=n,n,n-trimethyl-3-(octadecyloxy)propan-1-ammoniumchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=23328-71-4; added Common Chemistry CAS names as altLabel: 1-Propanaminium, <em>N</em>,<em>N</em>,<em>N</em>-trimethyl-3-(octadecyloxy)-, chloride, 1-Propanaminium, <em>N</em>,<em>N</em>,<em>N</em>-trimethyl-3-(octadecyloxy)-, chloride (1:1), 3-Octadecyloxypropyltrimethylammonium chloride, Ammonium, trimethyl[3-(octadecyloxy)propyl]-, chloride, Quartamin E 80K, Stearoxypropyltrimonium chloride; object_uuid=fo-7a3fd237e776253d |
| 269,167 | consensus_match | cas_match_labels | — | {"23328-71-4":"exactMatch"} | group_key=n,n,n-trimethyl-3-(octadecyloxy)propan-1-ammoniumchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'23328-71-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7a3fd237e776253d: {'23328-71-4': 'exactMatch'} |
| 276,566 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H52ClNO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H52ClNO… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1-Propanaminium, N,N,N-trimethyl-3-(octadecyloxy)-, chloride' |
| 283,183 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H52ClNO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H52ClNO… | rdkit_post_consensus from 'CCCCCCCCCCCCCCCCCCOCCC[N+](C)(C)C.[Cl-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,562 | dedupe_altlabels | altLabel | [{"@value":"1-Propanaminium, <em>N</em>,<em>N</em>,<em>N</em>-trimethyl-3-(octadecyloxy)-, chloride","@language":"en","… | [{"@value":"1-Propanaminium, N,N,N-trimethyl-3-(octadecyloxy)-, chloride","@language":"en","source":{"prov:wasGenerated… | Deduplicated altLabel values and removed entries matching prefLabel |
| 346,293 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/87eb304d-166a-… | associations resolved on the elementary layer |
| 390,920 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H52ClNO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H52ClNO… | typed the way the ontology types it |
| 398,740 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | the substance's answer, copied onto its flow |
PROV-O trail
19 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/20260822T0600486828500000/11226 | prefLabel | ef:agent/bootstrap_labels | ef:flow/87eb304d-166a-4cc4-848a-2140c201b80b/v0 | ef:flow/87eb304d-166a-4cc4-848a-2140c201b80b/v1 |
| ef:activity/change/20260822T0600486828500000/11227 | name | ef:agent/bootstrap_labels | ef:flow/87eb304d-166a-4cc4-848a-2140c201b80b/v1 | ef:flow/87eb304d-166a-4cc4-848a-2140c201b80b/v2 |
| ef:activity/change/20260822T0600486828500000/11228 | synonyms | ef:agent/bootstrap_labels | ef:flow/87eb304d-166a-4cc4-848a-2140c201b80b/v2 | ef:flow/87eb304d-166a-4cc4-848a-2140c201b80b/v3 |
| ef:activity/change/20260822T0600486828500000/130586 | context | ef:agent/default_context_mapping | ef:flow/87eb304d-166a-4cc4-848a-2140c201b80b/v3 | ef:flow/87eb304d-166a-4cc4-848a-2140c201b80b/v4 |
| ef:activity/change/20260822T0600486828500000/130587 | context_iri | ef:agent/default_context_mapping | ef:flow/87eb304d-166a-4cc4-848a-2140c201b80b/v4 | ef:flow/87eb304d-166a-4cc4-848a-2140c201b80b/v5 |
| ef:activity/change/20260822T0600486828500000/217060 | unit_iri | ef:agent/unit_normalization | ef:flow/87eb304d-166a-4cc4-848a-2140c201b80b/v5 | ef:flow/87eb304d-166a-4cc4-848a-2140c201b80b/v6 |
| ef:activity/change/20260822T0600486828500000/223714 | prefLabel | ef:agent/normalize_name_case | ef:flow/87eb304d-166a-4cc4-848a-2140c201b80b/v6 | ef:flow/87eb304d-166a-4cc4-848a-2140c201b80b/v7 |
| ef:activity/change/20260822T0600486828500000/237861 | properties | ef:agent/enrich_references | ef:flow/87eb304d-166a-4cc4-848a-2140c201b80b/v7 | ef:flow/87eb304d-166a-4cc4-848a-2140c201b80b/v8 |
| ef:activity/change/20260822T0600486828500000/237862 | skos_definition | ef:agent/enrich_references | ef:flow/87eb304d-166a-4cc4-848a-2140c201b80b/v8 | ef:flow/87eb304d-166a-4cc4-848a-2140c201b80b/v9 |
| ef:activity/change/20260822T0600486828500000/237863 | references | ef:agent/enrich_references | ef:flow/87eb304d-166a-4cc4-848a-2140c201b80b/v9 | ef:flow/87eb304d-166a-4cc4-848a-2140c201b80b/v10 |
| ef:activity/change/20260822T0600486828500000/251386 | properties | ef:agent/rdkit_pre_consensus | ef:flow/87eb304d-166a-4cc4-848a-2140c201b80b/v10 | ef:flow/87eb304d-166a-4cc4-848a-2140c201b80b/v11 |
| ef:activity/change/20260822T0600486828500000/269166 | altLabel | ef:agent/consensus_match | ef:flow/87eb304d-166a-4cc4-848a-2140c201b80b/v11 | ef:flow/87eb304d-166a-4cc4-848a-2140c201b80b/v12 |
| ef:activity/change/20260822T0600486828500000/269167 | cas_match_labels | ef:agent/consensus_match | ef:flow/87eb304d-166a-4cc4-848a-2140c201b80b/v12 | ef:flow/87eb304d-166a-4cc4-848a-2140c201b80b/v13 |
| ef:activity/change/20260822T0600486828500000/276566 | properties | ef:agent/opsin_iupac | ef:flow/87eb304d-166a-4cc4-848a-2140c201b80b/v13 | ef:flow/87eb304d-166a-4cc4-848a-2140c201b80b/v14 |
| ef:activity/change/20260822T0600486828500000/283183 | properties | ef:agent/rdkit_post_consensus | ef:flow/87eb304d-166a-4cc4-848a-2140c201b80b/v14 | ef:flow/87eb304d-166a-4cc4-848a-2140c201b80b/v15 |
| ef:activity/change/20260822T0600486828500000/292562 | altLabel | ef:agent/dedupe_altlabels | ef:flow/87eb304d-166a-4cc4-848a-2140c201b80b/v15 | ef:flow/87eb304d-166a-4cc4-848a-2140c201b80b/v16 |
| ef:activity/change/20260822T0600486828500000/346293 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/87eb304d-166a-4cc4-848a-2140c201b80b/v16 | ef:flow/87eb304d-166a-4cc4-848a-2140c201b80b/v17 |
| ef:activity/change/20260822T0600486828500000/390920 | properties | ef:agent/normalise_property_values | ef:flow/87eb304d-166a-4cc4-848a-2140c201b80b/v17 | ef:flow/87eb304d-166a-4cc4-848a-2140c201b80b/v18 |
| ef:activity/change/20260822T0600486828500000/398740 | types | ef:agent/link_flows_to_their_substance | ef:flow/87eb304d-166a-4cc4-848a-2140c201b80b/v18 | ef:flow/87eb304d-166a-4cc4-848a-2140c201b80b/v19 |