3-(acryloylamino)-n,n,n-trimethylpropan-1-aminium Chloride
Everything that changed this flow. Back to the flow
b1bfa6c8-ca11-4644-9203-5506c1d1db75
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, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| 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-(acryloylamino)-n,n,n-trimethylpropan-1-aminiumchloride||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'45021-77-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-8527c401a7722a7f: {'45021-77-0': '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=['45021-77-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[170750, 131664314]; selected_pubchem_cids=[170750, 131664314]; 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 |
|---|---|---|---|---|---|
| 14,736 | bootstrap_labels | prefLabel | — | [{"@value":"3-(acryloylamino)-n,n,n-trimethylpropan-1-aminium chloride","@language":"en","source":{"prov:wasGeneratedBy… | Bootstrapped prefLabel from legacy name field |
| 14,737 | bootstrap_labels | name | 3-(acryloylamino)-n,n,n-trimethylpropan-1-aminium chloride | — | Purged legacy name field to enforce prefLabel usage |
| 14,738 | bootstrap_labels | synonyms | ["organic","trimethyl-3-[(1-oxoallyl)amino]propylammoniumchloride","productbcq"] | [] | Removed legacy synonyms field in favor of structured labels |
| 155,508 | 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) |
| 155,509 | 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) |
| 218,198 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,496 | normalize_name_case | prefLabel | [{"@value":"3-(acryloylamino)-n,n,n-trimethylpropan-1-aminium chloride","@language":"en","source":{"prov:wasGeneratedBy… | [{"@value":"3-(acryloylamino)-n,n,n-trimethylpropan-1-aminium Chloride","@language":"en","source":{"prov:wasGeneratedBy… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 241,119 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H19ClN2O… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=2) |
| 241,120 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 241,121 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.051.057","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['45021-77-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[170750, 131664314]; selected_pubchem_cids=[170750, 131664314]; 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 |
| 252,330 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H19ClN2O… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H19ClN2O… | rdkit_pre_consensus from 'C[N+](C)(C)CCCN=C(C=C)[O-].Cl'; added: molecular_mass, monoisotopic_mass |
| 261,771 | consensus_match | altLabel | [] | [{"@value":"(3-Acrylamidopropyl)trimethylammonium chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus… | group_key=3-(acryloylamino)-n,n,n-trimethylpropan-1-aminiumchloride||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=45021-77-0; added Common Chemistry CAS names as altLabel: (3-Acrylamidopropyl)trimethylammonium chloride, (Acrylamidopropyl)trimethylammonium chloride, 1-Propanaminium, <em>N</em>,<em>N</em>,<em>N</em>-trimethyl-3-[(1-oxo-2-propen-1-yl)amino]-, chloride (1:1), 1-Propanaminium, <em>N</em>,<em>N</em>,<em>N</em>-trimethyl-3-[(1-oxo-2-propenyl)amino]-, chloride, 3-(Acryloylamidopropyl)trimethylammonium chloride, 3-Acrylamido-<em>N</em>,<em>N</em>,<em>N</em>-trimethylpropan-1-aminium chloride, 3-Dimethylaminopropyl acrylamide methyl chloride salt, <em>N</em>,<em>N</em>,<em>N</em>-Trimethyl-3-(acryloylamino)propylammonium chloride, <em>N</em>-Acrylamidopropyl-<em>N</em>,<em>N</em>,<em>N</em>-trimethylammonium chloride, Acryloylaminopropyltrimethylammonium chloride, DMAPAA-Q, Trimethyl(3-acrylamidopropyl)ammonium chloride, [3-(Acryloylamino)propyl]trimethylammonium chloride, [3-[(1-Oxo-2-propenyl)amino]propyl]-<em>N</em>,<em>N</em>,<em>N</em>-trimethylammonium chloride; object_uuid=fo-8527c401a7722a7f |
| 261,772 | consensus_match | cas_match_labels | — | {"45021-77-0":"exactMatch"} | group_key=3-(acryloylamino)-n,n,n-trimethylpropan-1-aminiumchloride||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'45021-77-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-8527c401a7722a7f: {'45021-77-0': 'exactMatch'} |
| 277,523 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H19ClN2O… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H19ClN2O… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '(3-Acrylamidopropyl)trimethylammonium chloride' |
| 284,216 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H19ClN2O… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H19ClN2O… | rdkit_post_consensus from 'C=CC(=O)NCCC[N+](C)(C)C.[Cl-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,776 | dedupe_altlabels | altLabel | [{"@value":"(3-Acrylamidopropyl)trimethylammonium chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus… | [{"@value":"(3-Acrylamidopropyl)trimethylammonium chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus… | Deduplicated altLabel values and removed entries matching prefLabel |
| 358,778 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/b1bfa6c8-ca11-… | associations resolved on the elementary layer |
| 391,880 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H19ClN2O… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H19ClN2O… | typed the way the ontology types it |
| 400,110 | 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/20260821T1302361922970000/14736 | prefLabel | ef:agent/bootstrap_labels | ef:flow/b1bfa6c8-ca11-4644-9203-5506c1d1db75/v0 | ef:flow/b1bfa6c8-ca11-4644-9203-5506c1d1db75/v1 |
| ef:activity/change/20260821T1302361922970000/14737 | name | ef:agent/bootstrap_labels | ef:flow/b1bfa6c8-ca11-4644-9203-5506c1d1db75/v1 | ef:flow/b1bfa6c8-ca11-4644-9203-5506c1d1db75/v2 |
| ef:activity/change/20260821T1302361922970000/14738 | synonyms | ef:agent/bootstrap_labels | ef:flow/b1bfa6c8-ca11-4644-9203-5506c1d1db75/v2 | ef:flow/b1bfa6c8-ca11-4644-9203-5506c1d1db75/v3 |
| ef:activity/change/20260821T1302361922970000/155508 | context | ef:agent/default_context_mapping | ef:flow/b1bfa6c8-ca11-4644-9203-5506c1d1db75/v3 | ef:flow/b1bfa6c8-ca11-4644-9203-5506c1d1db75/v4 |
| ef:activity/change/20260821T1302361922970000/155509 | context_iri | ef:agent/default_context_mapping | ef:flow/b1bfa6c8-ca11-4644-9203-5506c1d1db75/v4 | ef:flow/b1bfa6c8-ca11-4644-9203-5506c1d1db75/v5 |
| ef:activity/change/20260821T1302361922970000/218198 | unit_iri | ef:agent/unit_normalization | ef:flow/b1bfa6c8-ca11-4644-9203-5506c1d1db75/v5 | ef:flow/b1bfa6c8-ca11-4644-9203-5506c1d1db75/v6 |
| ef:activity/change/20260821T1302361922970000/224496 | prefLabel | ef:agent/normalize_name_case | ef:flow/b1bfa6c8-ca11-4644-9203-5506c1d1db75/v6 | ef:flow/b1bfa6c8-ca11-4644-9203-5506c1d1db75/v7 |
| ef:activity/change/20260821T1302361922970000/241119 | properties | ef:agent/enrich_references | ef:flow/b1bfa6c8-ca11-4644-9203-5506c1d1db75/v7 | ef:flow/b1bfa6c8-ca11-4644-9203-5506c1d1db75/v8 |
| ef:activity/change/20260821T1302361922970000/241120 | skos_definition | ef:agent/enrich_references | ef:flow/b1bfa6c8-ca11-4644-9203-5506c1d1db75/v8 | ef:flow/b1bfa6c8-ca11-4644-9203-5506c1d1db75/v9 |
| ef:activity/change/20260821T1302361922970000/241121 | references | ef:agent/enrich_references | ef:flow/b1bfa6c8-ca11-4644-9203-5506c1d1db75/v9 | ef:flow/b1bfa6c8-ca11-4644-9203-5506c1d1db75/v10 |
| ef:activity/change/20260821T1302361922970000/252330 | properties | ef:agent/rdkit_pre_consensus | ef:flow/b1bfa6c8-ca11-4644-9203-5506c1d1db75/v10 | ef:flow/b1bfa6c8-ca11-4644-9203-5506c1d1db75/v11 |
| ef:activity/change/20260821T1302361922970000/261771 | altLabel | ef:agent/consensus_match | ef:flow/b1bfa6c8-ca11-4644-9203-5506c1d1db75/v11 | ef:flow/b1bfa6c8-ca11-4644-9203-5506c1d1db75/v12 |
| ef:activity/change/20260821T1302361922970000/261772 | cas_match_labels | ef:agent/consensus_match | ef:flow/b1bfa6c8-ca11-4644-9203-5506c1d1db75/v12 | ef:flow/b1bfa6c8-ca11-4644-9203-5506c1d1db75/v13 |
| ef:activity/change/20260821T1302361922970000/277523 | properties | ef:agent/opsin_iupac | ef:flow/b1bfa6c8-ca11-4644-9203-5506c1d1db75/v13 | ef:flow/b1bfa6c8-ca11-4644-9203-5506c1d1db75/v14 |
| ef:activity/change/20260821T1302361922970000/284216 | properties | ef:agent/rdkit_post_consensus | ef:flow/b1bfa6c8-ca11-4644-9203-5506c1d1db75/v14 | ef:flow/b1bfa6c8-ca11-4644-9203-5506c1d1db75/v15 |
| ef:activity/change/20260821T1302361922970000/292776 | altLabel | ef:agent/dedupe_altlabels | ef:flow/b1bfa6c8-ca11-4644-9203-5506c1d1db75/v15 | ef:flow/b1bfa6c8-ca11-4644-9203-5506c1d1db75/v16 |
| ef:activity/change/20260821T1302361922970000/358778 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/b1bfa6c8-ca11-4644-9203-5506c1d1db75/v16 | ef:flow/b1bfa6c8-ca11-4644-9203-5506c1d1db75/v17 |
| ef:activity/change/20260821T1302361922970000/391880 | properties | ef:agent/normalise_property_values | ef:flow/b1bfa6c8-ca11-4644-9203-5506c1d1db75/v17 | ef:flow/b1bfa6c8-ca11-4644-9203-5506c1d1db75/v18 |
| ef:activity/change/20260821T1302361922970000/400110 | types | ef:agent/link_flows_to_their_substance | ef:flow/b1bfa6c8-ca11-4644-9203-5506c1d1db75/v18 | ef:flow/b1bfa6c8-ca11-4644-9203-5506c1d1db75/v19 |