3-chloro-2-hydroxy-n,n,n-trimethylpropan-1-aminium Chloride
Everything that changed this flow. Back to the flow
f80a4d0a-8907-4c67-af4d-8dff362e2b28
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 | 2 | consensus_match, strip_catalogue_altlabels | Removed 13 catalogue altLabel value(s): 'COPA 60S' (grade code), 'CR 2000' (grade code), 'CR 2000 (fixative)' (grade code), 'CTA 65' (grade code), 'Dowquat 188' (trade name), 'HAC 65' (grade code), 'NSC 51216' (registry code), 'NT 21' (grade code), 'QUAB 188' (grade code), 'QUAB 218' (grade code), 'Quat 188' (grade code), 'Rishlyte 9098' (trade name), 'ZPYM 8069' (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=3-chloro-2-hydroxy-n,n,n-trimethylpropan-1-aminiumchloride||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'3327-22-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3ca94aa701e39f0e: {'3327-22-8': '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=['3327-22-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[18732, 147580]; selected_pubchem_cids=[18732]; 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
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 15,134 | bootstrap_labels | prefLabel | — | [{"@value":"3-chloro-2-hydroxy-n,n,n-trimethylpropan-1-aminium chloride","@language":"en","source":{"prov:wasGeneratedB… | Bootstrapped prefLabel from legacy name field |
| 15,135 | bootstrap_labels | name | 3-chloro-2-hydroxy-n,n,n-trimethylpropan-1-aminium chloride | — | Purged legacy name field to enforce prefLabel usage |
| 15,136 | bootstrap_labels | synonyms | ["organic","(3-chloro-2-hydroxypropyl)trimethylammoniumchloride...%","(3-chloro-2-hydroxypropyl)trimethylammoniumchlori… | [] | Removed legacy synonyms field in favor of structured labels |
| 198,751 | 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) |
| 198,752 | 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) |
| 218,327 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,585 | normalize_name_case | prefLabel | [{"@value":"3-chloro-2-hydroxy-n,n,n-trimethylpropan-1-aminium chloride","@language":"en","source":{"prov:wasGeneratedB… | [{"@value":"3-chloro-2-hydroxy-n,n,n-trimethylpropan-1-aminium Chloride","@language":"en","source":{"prov:wasGeneratedB… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 241,482 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15Cl2NO… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 241,483 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 241,484 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.020.045","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['3327-22-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[18732, 147580]; selected_pubchem_cids=[18732]; 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 |
| 252,446 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15Cl2NO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15Cl2NO… | rdkit_pre_consensus from 'C[N+](C)(C)CC(CCl)O.[Cl-]'; added: molecular_mass, monoisotopic_mass |
| 261,949 | consensus_match | altLabel | [] | [{"@value":"(2-Hydroxy-3-chloropropyl)trimethylammonium chloride","@language":"en","source":{"prov:wasGeneratedBy":"con… | group_key=3-chloro-2-hydroxy-n,n,n-trimethylpropan-1-aminiumchloride||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=3327-22-8; added Common Chemistry CAS names as altLabel: (2-Hydroxy-3-chloropropyl)trimethylammonium chloride, (3-Chloro-2-hydroxypropyl)-<em>N</em>,<em>N</em>,<em>N</em>-trimethylammonium chloride, (3-Chloro-2-hydroxypropyl)trimethylammonium chloride, 1-Chloro-2-hydroxypropane-3-trimethylammonium chloride, 1-Chloro-3-(trimethylammonio)-2-propanol chloride, 1-Chloro-3-trimethylammonium-2-propanol chloride, 1-Propanaminium, 3-chloro-2-hydroxy-<em>N</em>,<em>N</em>,<em>N</em>-trimethyl-, chloride, 1-Propanaminium, 3-chloro-2-hydroxy-<em>N</em>,<em>N</em>,<em>N</em>-trimethyl-, chloride (1:1), <em>N</em>-(3-Chloro-2-hydroxypropyl)-<em>N</em>,<em>N</em>,<em>N</em>-trimethylammonium chloride, Ammonium, (3-chloro-2-hydroxypropyl)trimethyl-, chloride, CHPTAC, COPA 60S, CR 2000, CR 2000 (fixative), CTA, CTA 65, CTA-YK, Catiomaster C, Catiomaster C 60, Cation Master C, Dextrosil, Dextrosil KA, Dowquat 188, EcoFAST CR 2000, HAC 65, NSC 51216, NT 21, QUAB, QUAB 188, QUAB 218, Quat 188, Reagens 65, Reagens CFZ, Reagens S, Reagens S-CFZ, Rishlyte 9098, Trimethyl(2-hydroxy-3-chloropropyl)ammonium chloride, Verolan KAF, Vircotone ECO, ZPYM 8069; object_uuid=fo-3ca94aa701e39f0e |
| 261,950 | consensus_match | cas_match_labels | — | {"3327-22-8":"exactMatch"} | group_key=3-chloro-2-hydroxy-n,n,n-trimethylpropan-1-aminiumchloride||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'3327-22-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3ca94aa701e39f0e: {'3327-22-8': 'exactMatch'} |
| 277,640 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15Cl2NO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15Cl2NO… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '(2-Hydroxy-3-chloropropyl)trimethylammonium chloride' |
| 284,339 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15Cl2NO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15Cl2NO… | rdkit_post_consensus from 'C[N+](C)(C)CC(O)CCl.[Cl-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,359 | strip_catalogue_altlabels | altLabel | [{"@value":"(2-Hydroxy-3-chloropropyl)trimethylammonium chloride","@language":"en","source":{"prov:wasGeneratedBy":"con… | [{"@value":"(2-Hydroxy-3-chloropropyl)trimethylammonium chloride","@language":"en","source":{"prov:wasGeneratedBy":"con… | Removed 13 catalogue altLabel value(s): 'COPA 60S' (grade code), 'CR 2000' (grade code), 'CR 2000 (fixative)' (grade code), 'CTA 65' (grade code), 'Dowquat 188' (trade name), 'HAC 65' (grade code), 'NSC 51216' (registry code), 'NT 21' (grade code), 'QUAB 188' (grade code), 'QUAB 218' (grade code), 'Quat 188' (grade code), 'Rishlyte 9098' (trade name), 'ZPYM 8069' (grade code) |
| 380,441 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/f80a4d0a-8907-… | associations resolved on the elementary layer |
| 392,020 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15Cl2NO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H15Cl2NO… | typed the way the ontology types it |
| 400,291 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | the substance's answer, copied onto its flow |
PROV-O trail
19 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/20261019T0712047113160000/15134 | prefLabel | ef:agent/bootstrap_labels | ef:flow/f80a4d0a-8907-4c67-af4d-8dff362e2b28/v0 | ef:flow/f80a4d0a-8907-4c67-af4d-8dff362e2b28/v1 |
| ef:activity/change/20261019T0712047113160000/15135 | name | ef:agent/bootstrap_labels | ef:flow/f80a4d0a-8907-4c67-af4d-8dff362e2b28/v1 | ef:flow/f80a4d0a-8907-4c67-af4d-8dff362e2b28/v2 |
| ef:activity/change/20261019T0712047113160000/15136 | synonyms | ef:agent/bootstrap_labels | ef:flow/f80a4d0a-8907-4c67-af4d-8dff362e2b28/v2 | ef:flow/f80a4d0a-8907-4c67-af4d-8dff362e2b28/v3 |
| ef:activity/change/20261019T0712047113160000/198751 | context | ef:agent/default_context_mapping | ef:flow/f80a4d0a-8907-4c67-af4d-8dff362e2b28/v3 | ef:flow/f80a4d0a-8907-4c67-af4d-8dff362e2b28/v4 |
| ef:activity/change/20261019T0712047113160000/198752 | context_iri | ef:agent/default_context_mapping | ef:flow/f80a4d0a-8907-4c67-af4d-8dff362e2b28/v4 | ef:flow/f80a4d0a-8907-4c67-af4d-8dff362e2b28/v5 |
| ef:activity/change/20261019T0712047113160000/218327 | unit_iri | ef:agent/unit_normalization | ef:flow/f80a4d0a-8907-4c67-af4d-8dff362e2b28/v5 | ef:flow/f80a4d0a-8907-4c67-af4d-8dff362e2b28/v6 |
| ef:activity/change/20261019T0712047113160000/224585 | prefLabel | ef:agent/normalize_name_case | ef:flow/f80a4d0a-8907-4c67-af4d-8dff362e2b28/v6 | ef:flow/f80a4d0a-8907-4c67-af4d-8dff362e2b28/v7 |
| ef:activity/change/20261019T0712047113160000/241482 | properties | ef:agent/enrich_references | ef:flow/f80a4d0a-8907-4c67-af4d-8dff362e2b28/v7 | ef:flow/f80a4d0a-8907-4c67-af4d-8dff362e2b28/v8 |
| ef:activity/change/20261019T0712047113160000/241483 | skos_definition | ef:agent/enrich_references | ef:flow/f80a4d0a-8907-4c67-af4d-8dff362e2b28/v8 | ef:flow/f80a4d0a-8907-4c67-af4d-8dff362e2b28/v9 |
| ef:activity/change/20261019T0712047113160000/241484 | references | ef:agent/enrich_references | ef:flow/f80a4d0a-8907-4c67-af4d-8dff362e2b28/v9 | ef:flow/f80a4d0a-8907-4c67-af4d-8dff362e2b28/v10 |
| ef:activity/change/20261019T0712047113160000/252446 | properties | ef:agent/rdkit_pre_consensus | ef:flow/f80a4d0a-8907-4c67-af4d-8dff362e2b28/v10 | ef:flow/f80a4d0a-8907-4c67-af4d-8dff362e2b28/v11 |
| ef:activity/change/20261019T0712047113160000/261949 | altLabel | ef:agent/consensus_match | ef:flow/f80a4d0a-8907-4c67-af4d-8dff362e2b28/v11 | ef:flow/f80a4d0a-8907-4c67-af4d-8dff362e2b28/v12 |
| ef:activity/change/20261019T0712047113160000/261950 | cas_match_labels | ef:agent/consensus_match | ef:flow/f80a4d0a-8907-4c67-af4d-8dff362e2b28/v12 | ef:flow/f80a4d0a-8907-4c67-af4d-8dff362e2b28/v13 |
| ef:activity/change/20261019T0712047113160000/277640 | properties | ef:agent/opsin_iupac | ef:flow/f80a4d0a-8907-4c67-af4d-8dff362e2b28/v13 | ef:flow/f80a4d0a-8907-4c67-af4d-8dff362e2b28/v14 |
| ef:activity/change/20261019T0712047113160000/284339 | properties | ef:agent/rdkit_post_consensus | ef:flow/f80a4d0a-8907-4c67-af4d-8dff362e2b28/v14 | ef:flow/f80a4d0a-8907-4c67-af4d-8dff362e2b28/v15 |
| ef:activity/change/20261019T0712047113160000/290359 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/f80a4d0a-8907-4c67-af4d-8dff362e2b28/v15 | ef:flow/f80a4d0a-8907-4c67-af4d-8dff362e2b28/v16 |
| ef:activity/change/20261019T0712047113160000/380441 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/f80a4d0a-8907-4c67-af4d-8dff362e2b28/v16 | ef:flow/f80a4d0a-8907-4c67-af4d-8dff362e2b28/v17 |
| ef:activity/change/20261019T0712047113160000/392020 | properties | ef:agent/normalise_property_values | ef:flow/f80a4d0a-8907-4c67-af4d-8dff362e2b28/v17 | ef:flow/f80a4d0a-8907-4c67-af4d-8dff362e2b28/v18 |
| ef:activity/change/20261019T0712047113160000/400291 | types | ef:agent/link_flows_to_their_substance | ef:flow/f80a4d0a-8907-4c67-af4d-8dff362e2b28/v18 | ef:flow/f80a4d0a-8907-4c67-af4d-8dff362e2b28/v19 |