Cetylpyridinium Chloride
Everything that changed this flow. Back to the flow
7ecb433b-6a19-4e8a-a002-0ea115c9fe92
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 4 catalogue altLabel value(s): 'C 9002' (grade code), 'NB 002' (grade code), 'NB 003' (grade code), 'NB 401' (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=cetylpyridiniumchloride||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'123-03-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1c40e7e7fdf0a248: {'123-03-5': '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 urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['123-03-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_32915']; candidate_pubchem_cids=[2683, 31239, 593866, 22114567, 22717447, 131667606]; selected_pubchem_cids=[31239]; 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 |
|---|---|---|---|---|---|
| 18,650 | bootstrap_labels | prefLabel | — | [{"@value":"cetylpyridinium chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | Bootstrapped prefLabel from legacy name field |
| 18,651 | bootstrap_labels | name | cetylpyridinium chloride | — | Purged legacy name field to enforce prefLabel usage |
| 18,652 | bootstrap_labels | synonyms | ["1-Cetylpyridinium chloride","1-Hexadecylpyridinium chloride","1-Palmitylpyridinium chloride","1-hexadecylpyridin-1-iu… | [] | Removed legacy synonyms field in favor of structured labels |
| 125,198 | 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 |
| 125,199 | 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 |
| 219,430 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,336 | normalize_name_case | prefLabel | [{"@value":"cetylpyridinium chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | [{"@value":"Cetylpyridinium Chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 244,585 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H38ClN"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 244,586 | enrich_references | skos_definition | — | [{"@value":"A pyridinium salt that has N-hexadecylpyridinium as the cation and chloride as the anion. It has antiseptic… | Merged ChEBI/PubChem definitions into skos:definition |
| 244,587 | enrich_references | references | [] | [{"@id":"beilstein:3578606","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":… | Added references with provenance; cas_numbers=['123-03-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_32915']; candidate_pubchem_cids=[2683, 31239, 593866, 22114567, 22717447, 131667606]; selected_pubchem_cids=[31239]; 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 |
| 253,335 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H38ClN"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H38ClN"… | rdkit_pre_consensus from 'CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-]'; added: monoisotopic_mass |
| 256,828 | chebi_altlabels | altLabel | [] | [{"@value":"1-cetylpyridinium chloride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | Added 10 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 264,965 | consensus_match | altLabel | [{"@value":"1-cetylpyridinium chloride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | [{"@value":"1-cetylpyridinium chloride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | group_key=cetylpyridiniumchloride||dimension=Environmental > media=Ground > geography=Unknown; cas=123-03-5; added Common Chemistry CAS names as altLabel: 1-<em>n</em>-Hexadecanepyridinium chloride, <em>N</em>-Cetylpyridium chloride, Acetoquat CPC, Aktivex, Ammonyx CPC, Biosept, C 9002, CPC, CPC (onium compound), Cecure, Ceepryn chloride, Cepacol, Cepacol chloride, Ceprim, Cetafilm, Cetamium, Dobendan, Halset, Intexsan CPC, Ipanol, Medilave, Merocet, Merothol, NB 002, NB 003, NB 401, Newkalgen B 651P, Pionin B 651P, Pristacin, Pyridinium, 1-hexadecyl-, chloride, Pyridinium, 1-hexadecyl-, chloride (1:1), Pyrisept, Quaternario CPC, Ronacare CPC, Septolete, TsPKh; object_uuid=fo-1c40e7e7fdf0a248 |
| 264,966 | consensus_match | cas_match_labels | — | {"123-03-5":"exactMatch"} | group_key=cetylpyridiniumchloride||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'123-03-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1c40e7e7fdf0a248: {'123-03-5': 'exactMatch'} |
| 278,546 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H38ClN"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H38ClN"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Cetylpyridinium Chloride' |
| 285,316 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H38ClN"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H38ClN"… | rdkit_post_consensus from 'CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,010 | strip_catalogue_altlabels | altLabel | [{"@value":"1-cetylpyridinium chloride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | [{"@value":"1-cetylpyridinium chloride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | Removed 4 catalogue altLabel value(s): 'C 9002' (grade code), 'NB 002' (grade code), 'NB 003' (grade code), 'NB 401' (grade code) |
| 343,601 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/7ecb433b-6a19-… | associations resolved on the elementary layer |
| 392,913 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H38ClN"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H38ClN"… | typed the way the ontology types it |
| 401,610 | 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/20260822T0600486828500000/18650 | prefLabel | ef:agent/bootstrap_labels | ef:flow/7ecb433b-6a19-4e8a-a002-0ea115c9fe92/v0 | ef:flow/7ecb433b-6a19-4e8a-a002-0ea115c9fe92/v1 |
| ef:activity/change/20260822T0600486828500000/18651 | name | ef:agent/bootstrap_labels | ef:flow/7ecb433b-6a19-4e8a-a002-0ea115c9fe92/v1 | ef:flow/7ecb433b-6a19-4e8a-a002-0ea115c9fe92/v2 |
| ef:activity/change/20260822T0600486828500000/18652 | synonyms | ef:agent/bootstrap_labels | ef:flow/7ecb433b-6a19-4e8a-a002-0ea115c9fe92/v2 | ef:flow/7ecb433b-6a19-4e8a-a002-0ea115c9fe92/v3 |
| ef:activity/change/20260822T0600486828500000/125198 | context | ef:agent/default_context_mapping | ef:flow/7ecb433b-6a19-4e8a-a002-0ea115c9fe92/v3 | ef:flow/7ecb433b-6a19-4e8a-a002-0ea115c9fe92/v4 |
| ef:activity/change/20260822T0600486828500000/125199 | context_iri | ef:agent/default_context_mapping | ef:flow/7ecb433b-6a19-4e8a-a002-0ea115c9fe92/v4 | ef:flow/7ecb433b-6a19-4e8a-a002-0ea115c9fe92/v5 |
| ef:activity/change/20260822T0600486828500000/219430 | unit_iri | ef:agent/unit_normalization | ef:flow/7ecb433b-6a19-4e8a-a002-0ea115c9fe92/v5 | ef:flow/7ecb433b-6a19-4e8a-a002-0ea115c9fe92/v6 |
| ef:activity/change/20260822T0600486828500000/225336 | prefLabel | ef:agent/normalize_name_case | ef:flow/7ecb433b-6a19-4e8a-a002-0ea115c9fe92/v6 | ef:flow/7ecb433b-6a19-4e8a-a002-0ea115c9fe92/v7 |
| ef:activity/change/20260822T0600486828500000/244585 | properties | ef:agent/enrich_references | ef:flow/7ecb433b-6a19-4e8a-a002-0ea115c9fe92/v7 | ef:flow/7ecb433b-6a19-4e8a-a002-0ea115c9fe92/v8 |
| ef:activity/change/20260822T0600486828500000/244586 | skos_definition | ef:agent/enrich_references | ef:flow/7ecb433b-6a19-4e8a-a002-0ea115c9fe92/v8 | ef:flow/7ecb433b-6a19-4e8a-a002-0ea115c9fe92/v9 |
| ef:activity/change/20260822T0600486828500000/244587 | references | ef:agent/enrich_references | ef:flow/7ecb433b-6a19-4e8a-a002-0ea115c9fe92/v9 | ef:flow/7ecb433b-6a19-4e8a-a002-0ea115c9fe92/v10 |
| ef:activity/change/20260822T0600486828500000/253335 | properties | ef:agent/rdkit_pre_consensus | ef:flow/7ecb433b-6a19-4e8a-a002-0ea115c9fe92/v10 | ef:flow/7ecb433b-6a19-4e8a-a002-0ea115c9fe92/v11 |
| ef:activity/change/20260822T0600486828500000/256828 | altLabel | ef:agent/chebi_altlabels | ef:flow/7ecb433b-6a19-4e8a-a002-0ea115c9fe92/v11 | ef:flow/7ecb433b-6a19-4e8a-a002-0ea115c9fe92/v12 |
| ef:activity/change/20260822T0600486828500000/264965 | altLabel | ef:agent/consensus_match | ef:flow/7ecb433b-6a19-4e8a-a002-0ea115c9fe92/v12 | ef:flow/7ecb433b-6a19-4e8a-a002-0ea115c9fe92/v13 |
| ef:activity/change/20260822T0600486828500000/264966 | cas_match_labels | ef:agent/consensus_match | ef:flow/7ecb433b-6a19-4e8a-a002-0ea115c9fe92/v13 | ef:flow/7ecb433b-6a19-4e8a-a002-0ea115c9fe92/v14 |
| ef:activity/change/20260822T0600486828500000/278546 | properties | ef:agent/opsin_iupac | ef:flow/7ecb433b-6a19-4e8a-a002-0ea115c9fe92/v14 | ef:flow/7ecb433b-6a19-4e8a-a002-0ea115c9fe92/v15 |
| ef:activity/change/20260822T0600486828500000/285316 | properties | ef:agent/rdkit_post_consensus | ef:flow/7ecb433b-6a19-4e8a-a002-0ea115c9fe92/v15 | ef:flow/7ecb433b-6a19-4e8a-a002-0ea115c9fe92/v16 |
| ef:activity/change/20260822T0600486828500000/291010 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/7ecb433b-6a19-4e8a-a002-0ea115c9fe92/v16 | ef:flow/7ecb433b-6a19-4e8a-a002-0ea115c9fe92/v17 |
| ef:activity/change/20260822T0600486828500000/343601 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/7ecb433b-6a19-4e8a-a002-0ea115c9fe92/v17 | ef:flow/7ecb433b-6a19-4e8a-a002-0ea115c9fe92/v18 |
| ef:activity/change/20260822T0600486828500000/392913 | properties | ef:agent/normalise_property_values | ef:flow/7ecb433b-6a19-4e8a-a002-0ea115c9fe92/v18 | ef:flow/7ecb433b-6a19-4e8a-a002-0ea115c9fe92/v19 |
| ef:activity/change/20260822T0600486828500000/401610 | types | ef:agent/link_flows_to_their_substance | ef:flow/7ecb433b-6a19-4e8a-a002-0ea115c9fe92/v19 | ef:flow/7ecb433b-6a19-4e8a-a002-0ea115c9fe92/v20 |