Cetrimonium Chloride
Everything that changed this flow. Back to the flow
5ff45c2a-2cfd-4e5e-b601-7f019d281fec
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 13 catalogue altLabel value(s): 'Adogen 444' (trade name), 'Aliquat 1529' (trade name), 'BP 40' (grade code), 'CA 2350' (grade code), 'CM 29' (grade code), 'CTAC 1' (grade code), 'Cationic 1631' (trade name), 'Cationic Surfactant 1631' (trade name), 'D 1631' (grade code), 'Dodigen 1383' (trade name), 'FSM 28' (grade code), 'PB 40' (grade code), 'Varisoft 300' (trade name) |
| 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=cetrimoniumchloride||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'112-02-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-01b515cf8efb6d59: {'112-02-7': '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 |
| 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 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['112-02-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_53581']; candidate_pubchem_cids=[8154, 21553980]; selected_pubchem_cids=[8154]; 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 |
|---|---|---|---|---|---|
| 5,737 | bootstrap_labels | prefLabel | — | [{"@value":"cetrimonium chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Bootstrapped prefLabel from legacy name field |
| 5,738 | bootstrap_labels | name | cetrimonium chloride | — | Purged legacy name field to enforce prefLabel usage |
| 14,638 | bootstrap_labels | synonyms | ["1-Hexadecanaminium, N,N,N-trimethyl-, chloride","1-Hexadecanaminium, N,N,N-trimethyl-, chloride (1:1)","AC1L1QDX","AC… | [] | Removed legacy synonyms field in favor of structured labels |
| 106,752 | 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 |
| 106,753 | 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 |
| 215,255 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,420 | normalize_name_case | prefLabel | [{"@value":"cetrimonium chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | [{"@value":"Cetrimonium Chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 232,702 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H42ClN"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 232,703 | enrich_references | skos_definition | — | [{"@value":"The organic chloride salt of cetyltrimethylammonium.","@language":"en","provenance":{"prov:wasGeneratedBy":… | Merged ChEBI/PubChem definitions into skos:definition |
| 232,704 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.003.571","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['112-02-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_53581']; candidate_pubchem_cids=[8154, 21553980]; selected_pubchem_cids=[8154]; 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 |
| 249,906 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H42ClN"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H42ClN"… | rdkit_pre_consensus from 'CCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]'; added: monoisotopic_mass |
| 255,100 | chebi_altlabels | altLabel | [] | [{"@value":"Arquad 16-50","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"co… | Added 10 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 264,963 | consensus_match | altLabel | [{"@value":"Arquad 16-50","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"co… | [{"@value":"Arquad 16-50","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"co… | group_key=cetrimoniumchloride||dimension=Environmental > media=Air > indoor=Unknown; cas=112-02-7; added Common Chemistry CAS names as altLabel: 1-Hexadecanaminium, <em>N</em>,<em>N</em>,<em>N</em>-trimethyl-, chloride, 1-Hexadecanaminium, <em>N</em>,<em>N</em>,<em>N</em>-trimethyl-, chloride (1:1), 1631CL, <em>N</em>-Palmityl-<em>N</em>,<em>N</em>,<em>N</em>-trimethylammonium chloride, <em>n</em>-Hexadecyltrimethylammonium chloride, Adogen 444, Adogen 444-29, Aliquat 1529, Aliquat 6, Alkapav 16S50, Ammonium, hexadecyltrimethyl-, chloride, Ammonyx CETAC 25, Ammonyx Cetac, Ammonyx Cetac 30, Arquad 16, Arquad 16-25, Arquad 16-25LO, Arquad 16-25W, Arquad 16-26, Arquad 16-29, Arquad 16-29W, BP 40, Barquat CT 29, Belsil ADM 4000 E, C 16TAC, CA 2350, CETAC, CM 29, CTAC 1, CTAC 30KC, CTAC CT-429, CTACL, CTMA, Carsoquat CT 425, Carsoquat CT 429, Catinal CTC 70ET, Catiogen TMP, Catiogen TMR, Cation PB 300, Cation PB 40, Cationic 1631, Cationic Surfactant 1631, Cetac 30, Cetyltrimethylammomium chloride, Cetyltrimethylammonium chloride, D 1631, Dehyquart A, Dehyquart A-CA, Dehyquart A-CE, Dodigen 1383, FSM 28, Fentacare 1631-70, Fentacare 1831-70, Genamin CTAC, Genamin CTAC 50, Genamin CTAC 50ET, Geranium CTAC, HDTMA-Cl, HTAC, Hexadecyltrimethylammonium chloride, Incroquat CTC 30, Intexan CTC 29, Intexsan CTC 29, Intexsan CTC 50, Lebon TM 16, Lebon TM 60, Lipoquad 16-29, Morpan CHA, Nikkol CA 2330, Nikkol CA-2350E, Nissan Cation PB 40, Nissan Cation PB 40R, PB 40, Pionin B 611, Protaquat CT 29, Quartamin 60W, Quartamin 60W30, Quatramine C 16/29, Saboquat, Surfroyal CTAC, Swanol CA 2350, Variquat E 228, Varisoft 300; object_uuid=fo-01b515cf8efb6d59 |
| 264,964 | consensus_match | cas_match_labels | — | {"112-02-7":"exactMatch"} | group_key=cetrimoniumchloride||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'112-02-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-01b515cf8efb6d59: {'112-02-7': 'exactMatch'} |
| 275,042 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H42ClN"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H42ClN"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Cetyl trimethyl ammonium chloride' |
| 281,533 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H42ClN"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H42ClN"… | rdkit_post_consensus from 'CCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,423 | strip_catalogue_altlabels | altLabel | [{"@value":"Arquad 16-50","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"co… | [{"@value":"Arquad 16-50","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"co… | Removed 13 catalogue altLabel value(s): 'Adogen 444' (trade name), 'Aliquat 1529' (trade name), 'BP 40' (grade code), 'CA 2350' (grade code), 'CM 29' (grade code), 'CTAC 1' (grade code), 'Cationic 1631' (trade name), 'Cationic Surfactant 1631' (trade name), 'D 1631' (grade code), 'Dodigen 1383' (trade name), 'FSM 28' (grade code), 'PB 40' (grade code), 'Varisoft 300' (trade name) |
| 334,374 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/5ff45c2a-2cfd-… | associations resolved on the elementary layer |
| 389,350 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H42ClN"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H42ClN"… | typed the way the ontology types it |
| 396,457 | 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/20260822T0600486828500000/5737 | prefLabel | ef:agent/bootstrap_labels | ef:flow/5ff45c2a-2cfd-4e5e-b601-7f019d281fec/v0 | ef:flow/5ff45c2a-2cfd-4e5e-b601-7f019d281fec/v1 |
| ef:activity/change/20260822T0600486828500000/5738 | name | ef:agent/bootstrap_labels | ef:flow/5ff45c2a-2cfd-4e5e-b601-7f019d281fec/v1 | ef:flow/5ff45c2a-2cfd-4e5e-b601-7f019d281fec/v2 |
| ef:activity/change/20260822T0600486828500000/14638 | synonyms | ef:agent/bootstrap_labels | ef:flow/5ff45c2a-2cfd-4e5e-b601-7f019d281fec/v2 | ef:flow/5ff45c2a-2cfd-4e5e-b601-7f019d281fec/v3 |
| ef:activity/change/20260822T0600486828500000/106752 | context | ef:agent/default_context_mapping | ef:flow/5ff45c2a-2cfd-4e5e-b601-7f019d281fec/v3 | ef:flow/5ff45c2a-2cfd-4e5e-b601-7f019d281fec/v4 |
| ef:activity/change/20260822T0600486828500000/106753 | context_iri | ef:agent/default_context_mapping | ef:flow/5ff45c2a-2cfd-4e5e-b601-7f019d281fec/v4 | ef:flow/5ff45c2a-2cfd-4e5e-b601-7f019d281fec/v5 |
| ef:activity/change/20260822T0600486828500000/215255 | unit_iri | ef:agent/unit_normalization | ef:flow/5ff45c2a-2cfd-4e5e-b601-7f019d281fec/v5 | ef:flow/5ff45c2a-2cfd-4e5e-b601-7f019d281fec/v6 |
| ef:activity/change/20260822T0600486828500000/222420 | prefLabel | ef:agent/normalize_name_case | ef:flow/5ff45c2a-2cfd-4e5e-b601-7f019d281fec/v6 | ef:flow/5ff45c2a-2cfd-4e5e-b601-7f019d281fec/v7 |
| ef:activity/change/20260822T0600486828500000/232702 | properties | ef:agent/enrich_references | ef:flow/5ff45c2a-2cfd-4e5e-b601-7f019d281fec/v7 | ef:flow/5ff45c2a-2cfd-4e5e-b601-7f019d281fec/v8 |
| ef:activity/change/20260822T0600486828500000/232703 | skos_definition | ef:agent/enrich_references | ef:flow/5ff45c2a-2cfd-4e5e-b601-7f019d281fec/v8 | ef:flow/5ff45c2a-2cfd-4e5e-b601-7f019d281fec/v9 |
| ef:activity/change/20260822T0600486828500000/232704 | references | ef:agent/enrich_references | ef:flow/5ff45c2a-2cfd-4e5e-b601-7f019d281fec/v9 | ef:flow/5ff45c2a-2cfd-4e5e-b601-7f019d281fec/v10 |
| ef:activity/change/20260822T0600486828500000/249906 | properties | ef:agent/rdkit_pre_consensus | ef:flow/5ff45c2a-2cfd-4e5e-b601-7f019d281fec/v10 | ef:flow/5ff45c2a-2cfd-4e5e-b601-7f019d281fec/v11 |
| ef:activity/change/20260822T0600486828500000/255100 | altLabel | ef:agent/chebi_altlabels | ef:flow/5ff45c2a-2cfd-4e5e-b601-7f019d281fec/v11 | ef:flow/5ff45c2a-2cfd-4e5e-b601-7f019d281fec/v12 |
| ef:activity/change/20260822T0600486828500000/264963 | altLabel | ef:agent/consensus_match | ef:flow/5ff45c2a-2cfd-4e5e-b601-7f019d281fec/v12 | ef:flow/5ff45c2a-2cfd-4e5e-b601-7f019d281fec/v13 |
| ef:activity/change/20260822T0600486828500000/264964 | cas_match_labels | ef:agent/consensus_match | ef:flow/5ff45c2a-2cfd-4e5e-b601-7f019d281fec/v13 | ef:flow/5ff45c2a-2cfd-4e5e-b601-7f019d281fec/v14 |
| ef:activity/change/20260822T0600486828500000/275042 | properties | ef:agent/opsin_iupac | ef:flow/5ff45c2a-2cfd-4e5e-b601-7f019d281fec/v14 | ef:flow/5ff45c2a-2cfd-4e5e-b601-7f019d281fec/v15 |
| ef:activity/change/20260822T0600486828500000/281533 | properties | ef:agent/rdkit_post_consensus | ef:flow/5ff45c2a-2cfd-4e5e-b601-7f019d281fec/v15 | ef:flow/5ff45c2a-2cfd-4e5e-b601-7f019d281fec/v16 |
| ef:activity/change/20260822T0600486828500000/288423 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/5ff45c2a-2cfd-4e5e-b601-7f019d281fec/v16 | ef:flow/5ff45c2a-2cfd-4e5e-b601-7f019d281fec/v17 |
| ef:activity/change/20260822T0600486828500000/334374 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/5ff45c2a-2cfd-4e5e-b601-7f019d281fec/v17 | ef:flow/5ff45c2a-2cfd-4e5e-b601-7f019d281fec/v18 |
| ef:activity/change/20260822T0600486828500000/389350 | properties | ef:agent/normalise_property_values | ef:flow/5ff45c2a-2cfd-4e5e-b601-7f019d281fec/v18 | ef:flow/5ff45c2a-2cfd-4e5e-b601-7f019d281fec/v19 |
| ef:activity/change/20260822T0600486828500000/396457 | types | ef:agent/link_flows_to_their_substance | ef:flow/5ff45c2a-2cfd-4e5e-b601-7f019d281fec/v19 | ef:flow/5ff45c2a-2cfd-4e5e-b601-7f019d281fec/v20 |