Trimethyl[2-(prop-2-enoyloxy)ethyl]azanium Chloride
Everything that changed this flow. Back to the flow
0e97fd12-ca15-4312-959c-31b8b2b3d729
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 1 catalogue altLabel value(s): 'DMA 3Q' (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=trimethyl[2-(prop-2-enoyloxy)ethyl]azaniumchloride||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'44992-01-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-f97767ac6ecece90: {'44992-01-0': '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 air > Emissions to air, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['44992-01-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[162071]; selected_pubchem_cids=[162071]; 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 |
|---|---|---|---|---|---|
| 5,692 | bootstrap_labels | prefLabel | — | [{"@value":"trimethyl[2-(prop-2-enoyloxy)ethyl]azanium chloride","@language":"en","source":{"prov:wasGeneratedBy":"boot… | Bootstrapped prefLabel from legacy name field |
| 5,693 | bootstrap_labels | name | trimethyl[2-(prop-2-enoyloxy)ethyl]azanium chloride | — | Purged legacy name field to enforce prefLabel usage |
| 5,694 | bootstrap_labels | synonyms | ["organic","[2-(acryloyloxy)ethyl]trimethylammoniumchloride","adame-quat","r-4221","r-4399","tis#o2294"] | [] | Removed legacy synonyms field in favor of structured labels |
| 45,986 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 45,987 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 215,240 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,410 | normalize_name_case | prefLabel | [{"@value":"trimethyl[2-(prop-2-enoyloxy)ethyl]azanium chloride","@language":"en","source":{"prov:wasGeneratedBy":"boot… | [{"@value":"Trimethyl[2-(prop-2-enoyloxy)ethyl]azanium Chloride","@language":"en","source":{"prov:wasGeneratedBy":"boot… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 232,658 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16ClNO2… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 232,659 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 232,660 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.051.052","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['44992-01-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[162071]; selected_pubchem_cids=[162071]; 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 |
| 249,893 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16ClNO2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16ClNO2… | rdkit_pre_consensus from 'C[N+](C)(C)CCOC(=O)C=C.[Cl-]'; added: molecular_mass, monoisotopic_mass |
| 272,995 | consensus_match | altLabel | [] | [{"@value":"(Trimethylammonio)ethyl acrylate chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_matc… | group_key=trimethyl[2-(prop-2-enoyloxy)ethyl]azaniumchloride||dimension=Environmental > media=Ground > geography=Agricultural; cas=44992-01-0; added Common Chemistry CAS names as altLabel: (Trimethylammonio)ethyl acrylate chloride, 2-(<em>N</em>,<em>N</em>-Dimethylamino)ethyl acrylate methyl chloride, 2-(Acryloyloxy)-<em>N</em>,<em>N</em>,<em>N</em>-trimethylethanaminium chloride, 2-(Dimethylamino)ethyl acrylate methochloride, 2-Trimethylammonioethyl acrylate chloride, 2-Trimethylammoniumethyl acrylate chloride, <em>N</em>-(2-Acryloyloxyethyl)-<em>N</em>,<em>N</em>,<em>N</em>-trimethylammonium chloride, ADAME-Q, ADAME-Quat, Acryloxyethyltrimethylammonium chloride, Acryloxyethyltrimethylammonuim chloride, Acryloyloxyethyltrimethylammonium chloride, Adamquat MC 75, Adamquat MC 80, Ageflex FA 1Q80MC, Ageflex FA 1Q80MC500, Aron DA-C, DMA 3Q, DMA-MC, DMAEA-Q, DME-B, Dimethylaminoethyl acrylate methyl chloride, Dimethylaminoethyl acrylate methyl chloride quaternary salt, Ethanaminium, <em>N</em>,<em>N</em>,<em>N</em>-trimethyl-2-[(1-oxo-2-propen-1-yl)oxy]-, chloride (1:1), Ethanaminium, <em>N</em>,<em>N</em>,<em>N</em>-trimethyl-2-[(1-oxo-2-propenyl)oxy]-, chloride, [2-(Acryloyloxy)ethyl]trimethylammonium chloride; object_uuid=fo-f97767ac6ecece90 |
| 272,996 | consensus_match | cas_match_labels | — | {"44992-01-0":"exactMatch"} | group_key=trimethyl[2-(prop-2-enoyloxy)ethyl]azaniumchloride||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'44992-01-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-f97767ac6ecece90: {'44992-01-0': 'exactMatch'} |
| 275,027 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16ClNO2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16ClNO2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Trimethyl[2-(prop-2-enoyloxy)ethyl]azanium Chloride' |
| 281,517 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16ClNO2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16ClNO2… | rdkit_post_consensus from 'C=CC(=O)OCC[N+](C)(C)C.[Cl-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,414 | strip_catalogue_altlabels | altLabel | [{"@value":"(Trimethylammonio)ethyl acrylate chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_matc… | [{"@value":"(Trimethylammonio)ethyl acrylate chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_matc… | Removed 1 catalogue altLabel value(s): 'DMA 3Q' (grade code) |
| 304,017 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0e97fd12-ca15-… | associations resolved on the elementary layer |
| 389,336 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16ClNO2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16ClNO2… | typed the way the ontology types it |
| 396,437 | 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/20260821T1122181958110000/5692 | prefLabel | ef:agent/bootstrap_labels | ef:flow/0e97fd12-ca15-4312-959c-31b8b2b3d729/v0 | ef:flow/0e97fd12-ca15-4312-959c-31b8b2b3d729/v1 |
| ef:activity/change/20260821T1122181958110000/5693 | name | ef:agent/bootstrap_labels | ef:flow/0e97fd12-ca15-4312-959c-31b8b2b3d729/v1 | ef:flow/0e97fd12-ca15-4312-959c-31b8b2b3d729/v2 |
| ef:activity/change/20260821T1122181958110000/5694 | synonyms | ef:agent/bootstrap_labels | ef:flow/0e97fd12-ca15-4312-959c-31b8b2b3d729/v2 | ef:flow/0e97fd12-ca15-4312-959c-31b8b2b3d729/v3 |
| ef:activity/change/20260821T1122181958110000/45986 | context | ef:agent/default_context_mapping | ef:flow/0e97fd12-ca15-4312-959c-31b8b2b3d729/v3 | ef:flow/0e97fd12-ca15-4312-959c-31b8b2b3d729/v4 |
| ef:activity/change/20260821T1122181958110000/45987 | context_iri | ef:agent/default_context_mapping | ef:flow/0e97fd12-ca15-4312-959c-31b8b2b3d729/v4 | ef:flow/0e97fd12-ca15-4312-959c-31b8b2b3d729/v5 |
| ef:activity/change/20260821T1122181958110000/215240 | unit_iri | ef:agent/unit_normalization | ef:flow/0e97fd12-ca15-4312-959c-31b8b2b3d729/v5 | ef:flow/0e97fd12-ca15-4312-959c-31b8b2b3d729/v6 |
| ef:activity/change/20260821T1122181958110000/222410 | prefLabel | ef:agent/normalize_name_case | ef:flow/0e97fd12-ca15-4312-959c-31b8b2b3d729/v6 | ef:flow/0e97fd12-ca15-4312-959c-31b8b2b3d729/v7 |
| ef:activity/change/20260821T1122181958110000/232658 | properties | ef:agent/enrich_references | ef:flow/0e97fd12-ca15-4312-959c-31b8b2b3d729/v7 | ef:flow/0e97fd12-ca15-4312-959c-31b8b2b3d729/v8 |
| ef:activity/change/20260821T1122181958110000/232659 | skos_definition | ef:agent/enrich_references | ef:flow/0e97fd12-ca15-4312-959c-31b8b2b3d729/v8 | ef:flow/0e97fd12-ca15-4312-959c-31b8b2b3d729/v9 |
| ef:activity/change/20260821T1122181958110000/232660 | references | ef:agent/enrich_references | ef:flow/0e97fd12-ca15-4312-959c-31b8b2b3d729/v9 | ef:flow/0e97fd12-ca15-4312-959c-31b8b2b3d729/v10 |
| ef:activity/change/20260821T1122181958110000/249893 | properties | ef:agent/rdkit_pre_consensus | ef:flow/0e97fd12-ca15-4312-959c-31b8b2b3d729/v10 | ef:flow/0e97fd12-ca15-4312-959c-31b8b2b3d729/v11 |
| ef:activity/change/20260821T1122181958110000/272995 | altLabel | ef:agent/consensus_match | ef:flow/0e97fd12-ca15-4312-959c-31b8b2b3d729/v11 | ef:flow/0e97fd12-ca15-4312-959c-31b8b2b3d729/v12 |
| ef:activity/change/20260821T1122181958110000/272996 | cas_match_labels | ef:agent/consensus_match | ef:flow/0e97fd12-ca15-4312-959c-31b8b2b3d729/v12 | ef:flow/0e97fd12-ca15-4312-959c-31b8b2b3d729/v13 |
| ef:activity/change/20260821T1122181958110000/275027 | properties | ef:agent/opsin_iupac | ef:flow/0e97fd12-ca15-4312-959c-31b8b2b3d729/v13 | ef:flow/0e97fd12-ca15-4312-959c-31b8b2b3d729/v14 |
| ef:activity/change/20260821T1122181958110000/281517 | properties | ef:agent/rdkit_post_consensus | ef:flow/0e97fd12-ca15-4312-959c-31b8b2b3d729/v14 | ef:flow/0e97fd12-ca15-4312-959c-31b8b2b3d729/v15 |
| ef:activity/change/20260821T1122181958110000/288414 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/0e97fd12-ca15-4312-959c-31b8b2b3d729/v15 | ef:flow/0e97fd12-ca15-4312-959c-31b8b2b3d729/v16 |
| ef:activity/change/20260821T1122181958110000/304017 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/0e97fd12-ca15-4312-959c-31b8b2b3d729/v16 | ef:flow/0e97fd12-ca15-4312-959c-31b8b2b3d729/v17 |
| ef:activity/change/20260821T1122181958110000/389336 | properties | ef:agent/normalise_property_values | ef:flow/0e97fd12-ca15-4312-959c-31b8b2b3d729/v17 | ef:flow/0e97fd12-ca15-4312-959c-31b8b2b3d729/v18 |
| ef:activity/change/20260821T1122181958110000/396437 | types | ef:agent/link_flows_to_their_substance | ef:flow/0e97fd12-ca15-4312-959c-31b8b2b3d729/v18 | ef:flow/0e97fd12-ca15-4312-959c-31b8b2b3d729/v19 |