Cetrimonium Bromide
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-45d682c9dd0010e1
Changes
57| # | 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 |
| 18,338 | bootstrap_labels | synonyms | ["cetrimoniumbromide","cetyl trimethyl ammonium bromide","n,n,n-trimethylhexadecan-1-aminium bromide","cetrimonium brom… | [] | Removed legacy synonyms field in favor of structured labels |
| 54,205 | 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 |
| 54,206 | 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 |
| 54,675 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 54,676 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 58,981 | 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 |
| 58,982 | 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 |
| 65,173 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 65,174 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 104,751 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 104,752 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 112,781 | 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) |
| 112,782 | 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) |
| 137,653 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 137,654 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 147,055 | 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 |
| 147,056 | 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 |
| 153,659 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 153,660 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 158,003 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 158,004 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 162,711 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 162,712 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 174,063 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 174,064 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 183,857 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 183,858 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 218,795 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,904 | 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) |
| 242,806 | 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) |
| 242,807 | 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 |
| 242,808 | enrich_references | references | [] | [{"@id":"gmelin:156228","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"bri… | 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 |
| 252,828 | 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 |
| 256,582 | chebi_altlabels | altLabel | [] | [{"@value":"Bromat","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"brightwa… | Added 25 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 264,965 | consensus_match | altLabel | [{"@value":"Bromat","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"brightwa… | [{"@value":"Bromat","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"brightwa… | 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 |
| 264,966 | 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'} |
| 278,029 | 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' |
| 284,758 | 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 |
| 290,643 | strip_catalogue_altlabels | altLabel | [{"@value":"Bromat","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"brightwa… | [{"@value":"Bromat","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"brightwa… | 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) |
| 308,170 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/1aceeea0-cefb-… | associations resolved on the elementary layer |
| 308,405 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/1ba7f2d5-b6cd-… | associations resolved on the elementary layer |
| 310,553 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/21620f43-bab0-… | associations resolved on the elementary layer |
| 313,645 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2a5fd333-b81c-… | associations resolved on the elementary layer |
| 333,410 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/5c8bf6c2-5c93-… | associations resolved on the elementary layer |
| 337,427 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/69b9112f-42a1-… | associations resolved on the elementary layer |
| 349,863 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/93d4acbe-73e2-… | associations resolved on the elementary layer |
| 354,582 | 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 |