Stearyltrimethylammonium chloride
Everything that changed this flow. Back to the flow
87d9c3dd-ccaf-4896-a0d0-37a50a70abab
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 | 4 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 9 catalogue altLabel value(s): 'AB 250' (grade code), 'AB 250 (surfactant)' (grade code), 'CA 2450' (grade code), 'CA 2465' (grade code), 'FAC 1W' (grade code), 'Fentacare 1831' (trade name), 'Quartamin 869P' (trade name), 'Quaternium 1831' (trade name), 'Surfactant 1831' (trade name) |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | cas=112-03-8; cc_chebi_agreed_name='Stearyltrimethylammonium chloride'; object_uuid=fo-080a80f7130cf355 |
| cas_match_labels | 1 | consensus_match | group_key=n,n,n-trimethyloctadecan-1-aminiumchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'112-03-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-080a80f7130cf355: {'112-03-8': '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 water, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, 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=['112-03-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_81710']; candidate_pubchem_cids=[8155, 20314734, 53249239]; selected_pubchem_cids=[8155]; 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
22| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 10,204 | bootstrap_labels | prefLabel | — | [{"@value":"n,n,n-trimethyloctadecan-1-aminium chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_la… | Bootstrapped prefLabel from legacy name field |
| 10,205 | bootstrap_labels | name | n,n,n-trimethyloctadecan-1-aminium chloride | — | Purged legacy name field to enforce prefLabel usage |
| 10,206 | bootstrap_labels | synonyms | ["organic","trimethyloctadecylammoniumchloride"] | [] | Removed legacy synonyms field in favor of structured labels |
| 130,545 | 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) |
| 130,546 | 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) |
| 216,730 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,483 | normalize_name_case | prefLabel | [{"@value":"n,n,n-trimethyloctadecan-1-aminium chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_la… | [{"@value":"N,n,n-trimethyloctadecan-1-aminium Chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_la… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 236,922 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H46ClN"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 236,923 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 236,924 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.003.572","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['112-03-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_81710']; candidate_pubchem_cids=[8155, 20314734, 53249239]; selected_pubchem_cids=[8155]; 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 |
| 251,124 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H46ClN"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H46ClN"… | rdkit_pre_consensus from 'CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]'; added: monoisotopic_mass |
| 255,837 | chebi_altlabels | altLabel | [] | [{"@value":"1-Octadecanaminium, N,N,N-trimethyl-, chloride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | Added 1 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 269,176 | consensus_match | prefLabel | [{"@value":"N,n,n-trimethyloctadecan-1-aminium Chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_la… | [{"@value":"Stearyltrimethylammonium chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov… | cas=112-03-8; cc_chebi_agreed_name='Stearyltrimethylammonium chloride'; object_uuid=fo-080a80f7130cf355 |
| 269,177 | consensus_match | altLabel | [{"@value":"1-Octadecanaminium, N,N,N-trimethyl-, chloride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | [{"@value":"1-Octadecanaminium, N,N,N-trimethyl-, chloride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | cas=112-03-8; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-080a80f7130cf355 |
| 269,178 | consensus_match | altLabel | [{"@value":"1-Octadecanaminium, N,N,N-trimethyl-, chloride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | [{"@value":"1-Octadecanaminium, N,N,N-trimethyl-, chloride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | group_key=n,n,n-trimethyloctadecan-1-aminiumchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=112-03-8; added Common Chemistry CAS names as altLabel: 1-Octadecanaminium, <em>N</em>,<em>N</em>,<em>N</em>-trimethyl-, chloride (1:1), AB 250, AB 250 (surfactant), AQ 18-63, Aliquat 7, Ammonium, trimethyloctadecyl-, chloride, Arcade T 800, Arquad 18, Arquad 18-50, Arquad 18-55, Arquad 18-63, Boraquat P 30, CA 2450, CA 2465, Cathinal LTC 25W, Catinal STC 25AQ, Catinal STC 25W, Catinal STC 70ET, Catinal STC 80, Catinal STS 80, Catiogen TMS, Cation AB, Cation AB 250AQ, Cation AB 600, Cationic emulsifier 1831, Cationic surfactant 1831, Cortamine 86P, Dehyquart B, Econol TMS 28, Electrostripper QE, FAC 1W, Fentacare 1831, Genamin STAC, Genamin STACP, Kamin RMS, Kotamin 86P, Lebon TM 18, Lipo Gard 18-63, Lipoquad T 800, Lipoquad T 833, Miconium STAC 65, Miconium STMS, Monostearyltrimethylammonium chloride, Nikkol CA 2450, Nikkol CA 2465, Nikkol NET-SG 60C, Nissan Cation AB, Nissan Cation AB 600, Octadecyltrimethylammonium chloride, Q-S-T 50, Quartamin 80W, Quartamin 86, Quartamin 869P, Quartamin 86P, Quartamin 86P Conc, Quartamin 86W, Quartamin P 85, Quaternium 10, Quaternium 1831, STAC, Stearimonium chloride, Steartrimonium chloride, Stearyltrimonium chloride, Surfactant 1831, Trimethyloctadecylammonium chloride, Trimethylstearylammonium chloride, Varisoft TSC; object_uuid=fo-080a80f7130cf355 |
| 269,179 | consensus_match | cas_match_labels | — | {"112-03-8":"exactMatch"} | group_key=n,n,n-trimethyloctadecan-1-aminiumchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'112-03-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-080a80f7130cf355: {'112-03-8': 'exactMatch'} |
| 276,310 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H46ClN"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H46ClN"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Stearyltrimethylammonium chloride' |
| 282,901 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H46ClN"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H46ClN"… | rdkit_post_consensus from 'CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,393 | strip_catalogue_altlabels | altLabel | [{"@value":"1-Octadecanaminium, N,N,N-trimethyl-, chloride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | [{"@value":"1-Octadecanaminium, N,N,N-trimethyl-, chloride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | Removed 9 catalogue altLabel value(s): 'AB 250' (grade code), 'AB 250 (surfactant)' (grade code), 'CA 2450' (grade code), 'CA 2465' (grade code), 'FAC 1W' (grade code), 'Fentacare 1831' (trade name), 'Quartamin 869P' (trade name), 'Quaternium 1831' (trade name), 'Surfactant 1831' (trade name) |
| 346,309 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/87d9c3dd-ccaf-… | associations resolved on the elementary layer |
| 390,680 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H46ClN"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H46ClN"… | typed the way the ontology types it |
| 398,379 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | the substance's answer, copied onto its flow |
PROV-O trail
22 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/20261019T0712047113160000/10204 | prefLabel | ef:agent/bootstrap_labels | ef:flow/87d9c3dd-ccaf-4896-a0d0-37a50a70abab/v0 | ef:flow/87d9c3dd-ccaf-4896-a0d0-37a50a70abab/v1 |
| ef:activity/change/20261019T0712047113160000/10205 | name | ef:agent/bootstrap_labels | ef:flow/87d9c3dd-ccaf-4896-a0d0-37a50a70abab/v1 | ef:flow/87d9c3dd-ccaf-4896-a0d0-37a50a70abab/v2 |
| ef:activity/change/20261019T0712047113160000/10206 | synonyms | ef:agent/bootstrap_labels | ef:flow/87d9c3dd-ccaf-4896-a0d0-37a50a70abab/v2 | ef:flow/87d9c3dd-ccaf-4896-a0d0-37a50a70abab/v3 |
| ef:activity/change/20261019T0712047113160000/130545 | context | ef:agent/default_context_mapping | ef:flow/87d9c3dd-ccaf-4896-a0d0-37a50a70abab/v3 | ef:flow/87d9c3dd-ccaf-4896-a0d0-37a50a70abab/v4 |
| ef:activity/change/20261019T0712047113160000/130546 | context_iri | ef:agent/default_context_mapping | ef:flow/87d9c3dd-ccaf-4896-a0d0-37a50a70abab/v4 | ef:flow/87d9c3dd-ccaf-4896-a0d0-37a50a70abab/v5 |
| ef:activity/change/20261019T0712047113160000/216730 | unit_iri | ef:agent/unit_normalization | ef:flow/87d9c3dd-ccaf-4896-a0d0-37a50a70abab/v5 | ef:flow/87d9c3dd-ccaf-4896-a0d0-37a50a70abab/v6 |
| ef:activity/change/20261019T0712047113160000/223483 | prefLabel | ef:agent/normalize_name_case | ef:flow/87d9c3dd-ccaf-4896-a0d0-37a50a70abab/v6 | ef:flow/87d9c3dd-ccaf-4896-a0d0-37a50a70abab/v7 |
| ef:activity/change/20261019T0712047113160000/236922 | properties | ef:agent/enrich_references | ef:flow/87d9c3dd-ccaf-4896-a0d0-37a50a70abab/v7 | ef:flow/87d9c3dd-ccaf-4896-a0d0-37a50a70abab/v8 |
| ef:activity/change/20261019T0712047113160000/236923 | skos_definition | ef:agent/enrich_references | ef:flow/87d9c3dd-ccaf-4896-a0d0-37a50a70abab/v8 | ef:flow/87d9c3dd-ccaf-4896-a0d0-37a50a70abab/v9 |
| ef:activity/change/20261019T0712047113160000/236924 | references | ef:agent/enrich_references | ef:flow/87d9c3dd-ccaf-4896-a0d0-37a50a70abab/v9 | ef:flow/87d9c3dd-ccaf-4896-a0d0-37a50a70abab/v10 |
| ef:activity/change/20261019T0712047113160000/251124 | properties | ef:agent/rdkit_pre_consensus | ef:flow/87d9c3dd-ccaf-4896-a0d0-37a50a70abab/v10 | ef:flow/87d9c3dd-ccaf-4896-a0d0-37a50a70abab/v11 |
| ef:activity/change/20261019T0712047113160000/255837 | altLabel | ef:agent/chebi_altlabels | ef:flow/87d9c3dd-ccaf-4896-a0d0-37a50a70abab/v11 | ef:flow/87d9c3dd-ccaf-4896-a0d0-37a50a70abab/v12 |
| ef:activity/change/20261019T0712047113160000/269176 | prefLabel | ef:agent/consensus_match | ef:flow/87d9c3dd-ccaf-4896-a0d0-37a50a70abab/v12 | ef:flow/87d9c3dd-ccaf-4896-a0d0-37a50a70abab/v13 |
| ef:activity/change/20261019T0712047113160000/269177 | altLabel | ef:agent/consensus_match | ef:flow/87d9c3dd-ccaf-4896-a0d0-37a50a70abab/v13 | ef:flow/87d9c3dd-ccaf-4896-a0d0-37a50a70abab/v14 |
| ef:activity/change/20261019T0712047113160000/269178 | altLabel | ef:agent/consensus_match | ef:flow/87d9c3dd-ccaf-4896-a0d0-37a50a70abab/v14 | ef:flow/87d9c3dd-ccaf-4896-a0d0-37a50a70abab/v15 |
| ef:activity/change/20261019T0712047113160000/269179 | cas_match_labels | ef:agent/consensus_match | ef:flow/87d9c3dd-ccaf-4896-a0d0-37a50a70abab/v15 | ef:flow/87d9c3dd-ccaf-4896-a0d0-37a50a70abab/v16 |
| ef:activity/change/20261019T0712047113160000/276310 | properties | ef:agent/opsin_iupac | ef:flow/87d9c3dd-ccaf-4896-a0d0-37a50a70abab/v16 | ef:flow/87d9c3dd-ccaf-4896-a0d0-37a50a70abab/v17 |
| ef:activity/change/20261019T0712047113160000/282901 | properties | ef:agent/rdkit_post_consensus | ef:flow/87d9c3dd-ccaf-4896-a0d0-37a50a70abab/v17 | ef:flow/87d9c3dd-ccaf-4896-a0d0-37a50a70abab/v18 |
| ef:activity/change/20261019T0712047113160000/289393 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/87d9c3dd-ccaf-4896-a0d0-37a50a70abab/v18 | ef:flow/87d9c3dd-ccaf-4896-a0d0-37a50a70abab/v19 |
| ef:activity/change/20261019T0712047113160000/346309 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/87d9c3dd-ccaf-4896-a0d0-37a50a70abab/v19 | ef:flow/87d9c3dd-ccaf-4896-a0d0-37a50a70abab/v20 |
| ef:activity/change/20261019T0712047113160000/390680 | properties | ef:agent/normalise_property_values | ef:flow/87d9c3dd-ccaf-4896-a0d0-37a50a70abab/v20 | ef:flow/87d9c3dd-ccaf-4896-a0d0-37a50a70abab/v21 |
| ef:activity/change/20261019T0712047113160000/398379 | types | ef:agent/link_flows_to_their_substance | ef:flow/87d9c3dd-ccaf-4896-a0d0-37a50a70abab/v21 | ef:flow/87d9c3dd-ccaf-4896-a0d0-37a50a70abab/v22 |