Cetrimonium Bromide
Everything that changed this flow. Back to the flow
a359c962-0df7-45a0-aa83-1c0aa0dd1753
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 5 catalogue altLabel value(s): 'Accelerator 1631' (trade name), 'H 0081' (grade code), 'KJ 789' (grade code), 'S 15001' (grade code), 'ZYS 08' (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=cetrimoniumbromide||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'57-09-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-45d682c9dd0010e1: {'57-09-0': '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 water > Emissions to fresh water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['57-09-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_3567']; candidate_pubchem_cids=[2681, 5974, 11651149, 18413300, 22569092, 172050101]; selected_pubchem_cids=[5974]; 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 |
|---|---|---|---|---|---|
| 16,618 | bootstrap_labels | prefLabel | — | [{"@value":"cetrimonium bromide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribute… | Bootstrapped prefLabel from legacy name field |
| 16,619 | bootstrap_labels | name | cetrimonium bromide | — | Purged legacy name field to enforce prefLabel usage |
| 16,620 | bootstrap_labels | synonyms | ["(1-Hexadecyl)trimethylammonium bromide","1-Hexadecanaminium, N,N,N-trimethyl-, bromide","1-Hexadecanaminium, N,N,N-tr… | [] | Removed legacy synonyms field in favor of structured labels |
| 147,052 | 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 |
| 147,053 | 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 |
| 218,792 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,900 | normalize_name_case | prefLabel | [{"@value":"cetrimonium bromide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribute… | [{"@value":"Cetrimonium Bromide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribute… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 242,802 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Br.C19H42N… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 242,803 | enrich_references | skos_definition | — | [{"@value":"The organic bromide salt that is the bromide salt of cetyltrimethylammonium; one of the components of the t… | Merged ChEBI/PubChem definitions into skos:definition |
| 242,804 | enrich_references | references | [] | [{"@id":"gmelin:156228","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"con… | Added references with provenance; cas_numbers=['57-09-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_3567']; candidate_pubchem_cids=[2681, 5974, 11651149, 18413300, 22569092, 172050101]; selected_pubchem_cids=[5974]; 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 |
| 252,821 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Br.C19H42N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Br.C19H42N… | rdkit_pre_consensus from 'CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]'; added: monoisotopic_mass |
| 256,574 | chebi_altlabels | altLabel | [] | [{"@value":"Bromat","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensu… | Added 25 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 264,961 | consensus_match | altLabel | [{"@value":"Bromat","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensu… | [{"@value":"Bromat","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensu… | group_key=cetrimoniumbromide||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=57-09-0; added Common Chemistry CAS names as altLabel: 1-Hexadecanaminium, <em>N</em>,<em>N</em>,<em>N</em>-trimethyl-, bromide, 1-Hexadecanaminium, <em>N</em>,<em>N</em>,<em>N</em>-trimethyl-, bromide (1:1), 1-Hexadecyltrimethylammonium bromide, 1165MP, 200MP, <em>N</em>,<em>N</em>,<em>N</em>-Trimethylhexadecan-1-ammonium bromide, <em>N</em>,<em>N</em>,<em>N</em>-Trimethylhexadecylammonium bromide, <em>N</em>-Cetyl-<em>N</em>,<em>N</em>,<em>N</em>-trimethylammonium bromide, Accelerator 1631, Accelerator DT 3126-1, Acetoquat CTAB, Ammonium, hexadecyltrimethyl-, bromide, Arquad 16/60, BCTA, C<sub>16</sub>TAB, CTABr, CTMB, Catinal HTB 70ET, Cetremide, Cirrasol OD, H 0081, HDTMA-Br, HTAB, Hexadecanyltrimethylammonium bromide, Hexadecyltrimethylamine bromide, KJ 789, Lauroseptol, Lissolamine, Lissolamine A, Micol, Palmityltrimethylammonium bromide, Pollacid, Pyridinium, 1-hexadecyl-4-(trimethylammonio)-, bromide (1:2), Quamonium, Rhodaquat M 242B99, S 15001, Softex KW, V 800113, Varisoft CTB 40, ZYS 08; object_uuid=fo-45d682c9dd0010e1 |
| 264,962 | consensus_match | cas_match_labels | — | {"57-09-0":"exactMatch"} | group_key=cetrimoniumbromide||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'57-09-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-45d682c9dd0010e1: {'57-09-0': 'exactMatch'} |
| 278,021 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Br.C19H42N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Br.C19H42N… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Cetyl trimethyl ammonium bromide' |
| 284,750 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Br.C19H42N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Br.C19H42N… | rdkit_post_consensus from 'CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,628 | strip_catalogue_altlabels | altLabel | [{"@value":"Bromat","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensu… | [{"@value":"Bromat","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensu… | Removed 5 catalogue altLabel value(s): 'Accelerator 1631' (trade name), 'H 0081' (grade code), 'KJ 789' (grade code), 'S 15001' (grade code), 'ZYS 08' (grade code) |
| 354,548 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a359c962-0df7-… | associations resolved on the elementary layer |
| 392,378 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Br.C19H42N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Br.C19H42N… | typed the way the ontology types it |
| 400,818 | 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/20260822T0600486828500000/16618 | prefLabel | ef:agent/bootstrap_labels | ef:flow/a359c962-0df7-45a0-aa83-1c0aa0dd1753/v0 | ef:flow/a359c962-0df7-45a0-aa83-1c0aa0dd1753/v1 |
| ef:activity/change/20260822T0600486828500000/16619 | name | ef:agent/bootstrap_labels | ef:flow/a359c962-0df7-45a0-aa83-1c0aa0dd1753/v1 | ef:flow/a359c962-0df7-45a0-aa83-1c0aa0dd1753/v2 |
| ef:activity/change/20260822T0600486828500000/16620 | synonyms | ef:agent/bootstrap_labels | ef:flow/a359c962-0df7-45a0-aa83-1c0aa0dd1753/v2 | ef:flow/a359c962-0df7-45a0-aa83-1c0aa0dd1753/v3 |
| ef:activity/change/20260822T0600486828500000/147052 | context | ef:agent/default_context_mapping | ef:flow/a359c962-0df7-45a0-aa83-1c0aa0dd1753/v3 | ef:flow/a359c962-0df7-45a0-aa83-1c0aa0dd1753/v4 |
| ef:activity/change/20260822T0600486828500000/147053 | context_iri | ef:agent/default_context_mapping | ef:flow/a359c962-0df7-45a0-aa83-1c0aa0dd1753/v4 | ef:flow/a359c962-0df7-45a0-aa83-1c0aa0dd1753/v5 |
| ef:activity/change/20260822T0600486828500000/218792 | unit_iri | ef:agent/unit_normalization | ef:flow/a359c962-0df7-45a0-aa83-1c0aa0dd1753/v5 | ef:flow/a359c962-0df7-45a0-aa83-1c0aa0dd1753/v6 |
| ef:activity/change/20260822T0600486828500000/224900 | prefLabel | ef:agent/normalize_name_case | ef:flow/a359c962-0df7-45a0-aa83-1c0aa0dd1753/v6 | ef:flow/a359c962-0df7-45a0-aa83-1c0aa0dd1753/v7 |
| ef:activity/change/20260822T0600486828500000/242802 | properties | ef:agent/enrich_references | ef:flow/a359c962-0df7-45a0-aa83-1c0aa0dd1753/v7 | ef:flow/a359c962-0df7-45a0-aa83-1c0aa0dd1753/v8 |
| ef:activity/change/20260822T0600486828500000/242803 | skos_definition | ef:agent/enrich_references | ef:flow/a359c962-0df7-45a0-aa83-1c0aa0dd1753/v8 | ef:flow/a359c962-0df7-45a0-aa83-1c0aa0dd1753/v9 |
| ef:activity/change/20260822T0600486828500000/242804 | references | ef:agent/enrich_references | ef:flow/a359c962-0df7-45a0-aa83-1c0aa0dd1753/v9 | ef:flow/a359c962-0df7-45a0-aa83-1c0aa0dd1753/v10 |
| ef:activity/change/20260822T0600486828500000/252821 | properties | ef:agent/rdkit_pre_consensus | ef:flow/a359c962-0df7-45a0-aa83-1c0aa0dd1753/v10 | ef:flow/a359c962-0df7-45a0-aa83-1c0aa0dd1753/v11 |
| ef:activity/change/20260822T0600486828500000/256574 | altLabel | ef:agent/chebi_altlabels | ef:flow/a359c962-0df7-45a0-aa83-1c0aa0dd1753/v11 | ef:flow/a359c962-0df7-45a0-aa83-1c0aa0dd1753/v12 |
| ef:activity/change/20260822T0600486828500000/264961 | altLabel | ef:agent/consensus_match | ef:flow/a359c962-0df7-45a0-aa83-1c0aa0dd1753/v12 | ef:flow/a359c962-0df7-45a0-aa83-1c0aa0dd1753/v13 |
| ef:activity/change/20260822T0600486828500000/264962 | cas_match_labels | ef:agent/consensus_match | ef:flow/a359c962-0df7-45a0-aa83-1c0aa0dd1753/v13 | ef:flow/a359c962-0df7-45a0-aa83-1c0aa0dd1753/v14 |
| ef:activity/change/20260822T0600486828500000/278021 | properties | ef:agent/opsin_iupac | ef:flow/a359c962-0df7-45a0-aa83-1c0aa0dd1753/v14 | ef:flow/a359c962-0df7-45a0-aa83-1c0aa0dd1753/v15 |
| ef:activity/change/20260822T0600486828500000/284750 | properties | ef:agent/rdkit_post_consensus | ef:flow/a359c962-0df7-45a0-aa83-1c0aa0dd1753/v15 | ef:flow/a359c962-0df7-45a0-aa83-1c0aa0dd1753/v16 |
| ef:activity/change/20260822T0600486828500000/290628 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/a359c962-0df7-45a0-aa83-1c0aa0dd1753/v16 | ef:flow/a359c962-0df7-45a0-aa83-1c0aa0dd1753/v17 |
| ef:activity/change/20260822T0600486828500000/354548 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/a359c962-0df7-45a0-aa83-1c0aa0dd1753/v17 | ef:flow/a359c962-0df7-45a0-aa83-1c0aa0dd1753/v18 |
| ef:activity/change/20260822T0600486828500000/392378 | properties | ef:agent/normalise_property_values | ef:flow/a359c962-0df7-45a0-aa83-1c0aa0dd1753/v18 | ef:flow/a359c962-0df7-45a0-aa83-1c0aa0dd1753/v19 |
| ef:activity/change/20260822T0600486828500000/400818 | types | ef:agent/link_flows_to_their_substance | ef:flow/a359c962-0df7-45a0-aa83-1c0aa0dd1753/v19 | ef:flow/a359c962-0df7-45a0-aa83-1c0aa0dd1753/v20 |