Trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium Chloride
Everything that changed this flow. Back to the flow
0125547c-e7b5-4902-8390-ef7c307fe81c
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=trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumchloride||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['ec_inventory']; cas_sources={'51410-72-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-fe9d1cbb639ee1a4: {'51410-72-1': '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 soil > Emissions to non-agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['51410-72-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[106428, 164186298]; selected_pubchem_cids=[106428, 164186298]; 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 |
|---|---|---|---|---|---|
| 1,033 | bootstrap_labels | prefLabel | — | [{"@value":"trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride","@language":"en","source":{"prov:wasGenera… | Bootstrapped prefLabel from legacy name field |
| 1,034 | bootstrap_labels | name | trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride | — | Purged legacy name field to enforce prefLabel usage |
| 1,035 | bootstrap_labels | synonyms | ["organic","(3-methacrylamidopropyl)trimethylammoniumchloride","(3-methacrylamidopropyl)trimethylammoniumchlorid(german… | [] | Removed legacy synonyms field in favor of structured labels |
| 26,612 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 26,613 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 213,685 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,338 | normalize_name_case | prefLabel | [{"@value":"trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride","@language":"en","source":{"prov:wasGenera… | [{"@value":"Trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium Chloride","@language":"en","source":{"prov:wasGenera… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 228,170 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H21ClN2… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=2) |
| 228,171 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 228,172 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.051.966","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['51410-72-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[106428, 164186298]; selected_pubchem_cids=[106428, 164186298]; 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 |
| 248,605 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H21ClN2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H21ClN2… | rdkit_pre_consensus from 'CC(=C)C(=NCCC[N+](C)(C)C)[O-].Cl'; added: molecular_mass, monoisotopic_mass |
| 273,017 | consensus_match | altLabel | [] | [{"@value":"(3-Methacrylamidopropyl)trimethylammonium chloride","@language":"en","source":{"prov:wasGeneratedBy":"conse… | group_key=trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumchloride||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=51410-72-1; added Common Chemistry CAS names as altLabel: (3-Methacrylamidopropyl)trimethylammonium chloride, 1-Propanaminium, <em>N</em>,<em>N</em>,<em>N</em>-trimethyl-3-[(2-methyl-1-oxo-2-propen-1-yl)amino]-, chloride (1:1), 1-Propanaminium, <em>N</em>,<em>N</em>,<em>N</em>-trimethyl-3-[(2-methyl-1-oxo-2-propenyl)amino]-, chloride, 3-(<em>N</em>-Methacryloyl)aminopropyltrimethylammonium chloride, 3-Dimethylaminopropylmethacrylamide methyl chloride salt, 3-Methacrylamido-<em>N</em>,<em>N</em>,<em>N</em>-trimethylpropan-1-aminium chloride, MAPTAC, Methacryloylaminopropyltrimethylammonium chloride, Quatamine MA, Trimethyl(3-methacrylamidopropyl)ammonium chloride, [3-(Methacryloylamino)propyl]trimethylammonium chloride, [3-[(2-Methyl-1-oxo-2-propenyl)amino]propyl]-<em>N</em>,<em>N</em>,<em>N</em>-trimethylammonium chloride; object_uuid=fo-fe9d1cbb639ee1a4 |
| 273,018 | consensus_match | cas_match_labels | — | {"51410-72-1":"exactMatch"} | group_key=trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumchloride||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['ec_inventory']; cas_sources={'51410-72-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-fe9d1cbb639ee1a4: {'51410-72-1': 'exactMatch'} |
| 273,744 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H21ClN2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H21ClN2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium Chloride' |
| 280,119 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H21ClN2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H21ClN2… | rdkit_post_consensus from 'C=C(C)C(=O)NCCC[N+](C)(C)C.[Cl-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,025 | dedupe_altlabels | altLabel | [{"@value":"(3-Methacrylamidopropyl)trimethylammonium chloride","@language":"en","source":{"prov:wasGeneratedBy":"conse… | [{"@value":"(3-Methacrylamidopropyl)trimethylammonium chloride","@language":"en","source":{"prov:wasGeneratedBy":"conse… | Deduplicated altLabel values and removed entries matching prefLabel |
| 294,370 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0125547c-e7b5-… | associations resolved on the elementary layer |
| 388,023 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H21ClN2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H21ClN2… | typed the way the ontology types it |
| 394,598 | 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/20260820T0738569779880000/1033 | prefLabel | ef:agent/bootstrap_labels | ef:flow/0125547c-e7b5-4902-8390-ef7c307fe81c/v0 | ef:flow/0125547c-e7b5-4902-8390-ef7c307fe81c/v1 |
| ef:activity/change/20260820T0738569779880000/1034 | name | ef:agent/bootstrap_labels | ef:flow/0125547c-e7b5-4902-8390-ef7c307fe81c/v1 | ef:flow/0125547c-e7b5-4902-8390-ef7c307fe81c/v2 |
| ef:activity/change/20260820T0738569779880000/1035 | synonyms | ef:agent/bootstrap_labels | ef:flow/0125547c-e7b5-4902-8390-ef7c307fe81c/v2 | ef:flow/0125547c-e7b5-4902-8390-ef7c307fe81c/v3 |
| ef:activity/change/20260820T0738569779880000/26612 | context | ef:agent/default_context_mapping | ef:flow/0125547c-e7b5-4902-8390-ef7c307fe81c/v3 | ef:flow/0125547c-e7b5-4902-8390-ef7c307fe81c/v4 |
| ef:activity/change/20260820T0738569779880000/26613 | context_iri | ef:agent/default_context_mapping | ef:flow/0125547c-e7b5-4902-8390-ef7c307fe81c/v4 | ef:flow/0125547c-e7b5-4902-8390-ef7c307fe81c/v5 |
| ef:activity/change/20260820T0738569779880000/213685 | unit_iri | ef:agent/unit_normalization | ef:flow/0125547c-e7b5-4902-8390-ef7c307fe81c/v5 | ef:flow/0125547c-e7b5-4902-8390-ef7c307fe81c/v6 |
| ef:activity/change/20260820T0738569779880000/221338 | prefLabel | ef:agent/normalize_name_case | ef:flow/0125547c-e7b5-4902-8390-ef7c307fe81c/v6 | ef:flow/0125547c-e7b5-4902-8390-ef7c307fe81c/v7 |
| ef:activity/change/20260820T0738569779880000/228170 | properties | ef:agent/enrich_references | ef:flow/0125547c-e7b5-4902-8390-ef7c307fe81c/v7 | ef:flow/0125547c-e7b5-4902-8390-ef7c307fe81c/v8 |
| ef:activity/change/20260820T0738569779880000/228171 | skos_definition | ef:agent/enrich_references | ef:flow/0125547c-e7b5-4902-8390-ef7c307fe81c/v8 | ef:flow/0125547c-e7b5-4902-8390-ef7c307fe81c/v9 |
| ef:activity/change/20260820T0738569779880000/228172 | references | ef:agent/enrich_references | ef:flow/0125547c-e7b5-4902-8390-ef7c307fe81c/v9 | ef:flow/0125547c-e7b5-4902-8390-ef7c307fe81c/v10 |
| ef:activity/change/20260820T0738569779880000/248605 | properties | ef:agent/rdkit_pre_consensus | ef:flow/0125547c-e7b5-4902-8390-ef7c307fe81c/v10 | ef:flow/0125547c-e7b5-4902-8390-ef7c307fe81c/v11 |
| ef:activity/change/20260820T0738569779880000/273017 | altLabel | ef:agent/consensus_match | ef:flow/0125547c-e7b5-4902-8390-ef7c307fe81c/v11 | ef:flow/0125547c-e7b5-4902-8390-ef7c307fe81c/v12 |
| ef:activity/change/20260820T0738569779880000/273018 | cas_match_labels | ef:agent/consensus_match | ef:flow/0125547c-e7b5-4902-8390-ef7c307fe81c/v12 | ef:flow/0125547c-e7b5-4902-8390-ef7c307fe81c/v13 |
| ef:activity/change/20260820T0738569779880000/273744 | properties | ef:agent/opsin_iupac | ef:flow/0125547c-e7b5-4902-8390-ef7c307fe81c/v13 | ef:flow/0125547c-e7b5-4902-8390-ef7c307fe81c/v14 |
| ef:activity/change/20260820T0738569779880000/280119 | properties | ef:agent/rdkit_post_consensus | ef:flow/0125547c-e7b5-4902-8390-ef7c307fe81c/v14 | ef:flow/0125547c-e7b5-4902-8390-ef7c307fe81c/v15 |
| ef:activity/change/20260820T0738569779880000/292025 | altLabel | ef:agent/dedupe_altlabels | ef:flow/0125547c-e7b5-4902-8390-ef7c307fe81c/v15 | ef:flow/0125547c-e7b5-4902-8390-ef7c307fe81c/v16 |
| ef:activity/change/20260820T0738569779880000/294370 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/0125547c-e7b5-4902-8390-ef7c307fe81c/v16 | ef:flow/0125547c-e7b5-4902-8390-ef7c307fe81c/v17 |
| ef:activity/change/20260820T0738569779880000/388023 | properties | ef:agent/normalise_property_values | ef:flow/0125547c-e7b5-4902-8390-ef7c307fe81c/v17 | ef:flow/0125547c-e7b5-4902-8390-ef7c307fe81c/v18 |
| ef:activity/change/20260820T0738569779880000/394598 | types | ef:agent/link_flows_to_their_substance | ef:flow/0125547c-e7b5-4902-8390-ef7c307fe81c/v18 | ef:flow/0125547c-e7b5-4902-8390-ef7c307fe81c/v19 |