Diallyldimethylammonium Chloride
Everything that changed this flow. Back to the flow
b1e74578-bc8a-464b-b607-0820db4a33c5
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 6 catalogue altLabel value(s): 'C 1615' (grade code), 'D 1259' (grade code), 'FC 704' (grade code), 'Flocryl 4007Q' (trade name), 'GY 172' (grade code), 'Nalco 7544' (trade name) |
| 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=diallyldimethylammoniumchloride||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'7398-69-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b38b999a7a2dc12b: {'7398-69-8': '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 air > Emissions to non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['7398-69-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[33286]; selected_pubchem_cids=[33286]; 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 |
|---|---|---|---|---|---|
| 15,687 | bootstrap_labels | prefLabel | — | [{"@value":"diallyldimethylammonium chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov… | Bootstrapped prefLabel from legacy name field |
| 15,688 | bootstrap_labels | name | diallyldimethylammonium chloride | — | Purged legacy name field to enforce prefLabel usage |
| 15,689 | bootstrap_labels | synonyms | ["2-Propen-1-aminium, N,N-dimethyl-N-2-propen-1-yl-, chloride (1:1)","2-Propen-1-aminium, N,N-dimethyl-N-2-propen-1-yl-… | [] | Removed legacy synonyms field in favor of structured labels |
| 155,576 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 155,577 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 218,498 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,701 | normalize_name_case | prefLabel | [{"@value":"diallyldimethylammonium chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov… | [{"@value":"Diallyldimethylammonium Chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 241,962 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16ClN"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 241,963 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 241,964 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.028.176","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['7398-69-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[33286]; selected_pubchem_cids=[33286]; 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 |
| 252,579 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16ClN"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16ClN"]… | rdkit_pre_consensus from 'C[N+](C)(CC=C)CC=C.[Cl-]'; added: molecular_mass, monoisotopic_mass |
| 265,649 | consensus_match | altLabel | [] | [{"@value":"2-Propen-1-aminium, <em>N</em>,<em>N</em>-dimethyl-<em>N</em>-2-propen-1-yl-, chloride (1:1)","@language":"… | group_key=diallyldimethylammoniumchloride||dimension=Environmental > media=Ground > geography=Agricultural; cas=7398-69-8; added Common Chemistry CAS names as altLabel: 2-Propen-1-aminium, <em>N</em>,<em>N</em>-dimethyl-<em>N</em>-2-propen-1-yl-, chloride (1:1), 2-Propen-1-aminium, <em>N</em>,<em>N</em>-dimethyl-<em>N</em>-2-propenyl-, chloride, <em>N</em>,<em>N</em>-Diallyl-<em>N</em>,<em>N</em>-dimethylammonium chloride, AG Fix M 80, Ammonium, diallyldimethyl-, chloride, C 1615, C 1615M-BR 30, D 1259, DADMAC, Dimethyldiallylammonium chloride, FC 704, Flocryl 4007Q, GY 172, Hercules D 1259, LYFM 205-65, M-DADMAC, Nalco 7544, Nalco TX 13645, Newfrontier C 1615; object_uuid=fo-b38b999a7a2dc12b |
| 265,650 | consensus_match | cas_match_labels | — | {"7398-69-8":"exactMatch"} | group_key=diallyldimethylammoniumchloride||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'7398-69-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b38b999a7a2dc12b: {'7398-69-8': 'exactMatch'} |
| 277,786 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16ClN"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16ClN"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Diallyldimethylammonium Chloride' |
| 284,486 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16ClN"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16ClN"]… | rdkit_post_consensus from 'C=CC[N+](C)(C)CC=C.[Cl-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,452 | strip_catalogue_altlabels | altLabel | [{"@value":"2-Propen-1-aminium, <em>N</em>,<em>N</em>-dimethyl-<em>N</em>-2-propen-1-yl-, chloride (1:1)","@language":"… | [{"@value":"2-Propen-1-aminium, N,N-dimethyl-N-2-propen-1-yl-, chloride (1:1)","@language":"en","source":{"prov:wasGene… | Removed 6 catalogue altLabel value(s): 'C 1615' (grade code), 'D 1259' (grade code), 'FC 704' (grade code), 'Flocryl 4007Q' (trade name), 'GY 172' (grade code), 'Nalco 7544' (trade name) |
| 358,812 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/b1e74578-bc8a-… | associations resolved on the elementary layer |
| 392,138 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16ClN"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H16ClN"]… | typed the way the ontology types it |
| 400,460 | 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/20260822T0600486828500000/15687 | prefLabel | ef:agent/bootstrap_labels | ef:flow/b1e74578-bc8a-464b-b607-0820db4a33c5/v0 | ef:flow/b1e74578-bc8a-464b-b607-0820db4a33c5/v1 |
| ef:activity/change/20260822T0600486828500000/15688 | name | ef:agent/bootstrap_labels | ef:flow/b1e74578-bc8a-464b-b607-0820db4a33c5/v1 | ef:flow/b1e74578-bc8a-464b-b607-0820db4a33c5/v2 |
| ef:activity/change/20260822T0600486828500000/15689 | synonyms | ef:agent/bootstrap_labels | ef:flow/b1e74578-bc8a-464b-b607-0820db4a33c5/v2 | ef:flow/b1e74578-bc8a-464b-b607-0820db4a33c5/v3 |
| ef:activity/change/20260822T0600486828500000/155576 | context | ef:agent/default_context_mapping | ef:flow/b1e74578-bc8a-464b-b607-0820db4a33c5/v3 | ef:flow/b1e74578-bc8a-464b-b607-0820db4a33c5/v4 |
| ef:activity/change/20260822T0600486828500000/155577 | context_iri | ef:agent/default_context_mapping | ef:flow/b1e74578-bc8a-464b-b607-0820db4a33c5/v4 | ef:flow/b1e74578-bc8a-464b-b607-0820db4a33c5/v5 |
| ef:activity/change/20260822T0600486828500000/218498 | unit_iri | ef:agent/unit_normalization | ef:flow/b1e74578-bc8a-464b-b607-0820db4a33c5/v5 | ef:flow/b1e74578-bc8a-464b-b607-0820db4a33c5/v6 |
| ef:activity/change/20260822T0600486828500000/224701 | prefLabel | ef:agent/normalize_name_case | ef:flow/b1e74578-bc8a-464b-b607-0820db4a33c5/v6 | ef:flow/b1e74578-bc8a-464b-b607-0820db4a33c5/v7 |
| ef:activity/change/20260822T0600486828500000/241962 | properties | ef:agent/enrich_references | ef:flow/b1e74578-bc8a-464b-b607-0820db4a33c5/v7 | ef:flow/b1e74578-bc8a-464b-b607-0820db4a33c5/v8 |
| ef:activity/change/20260822T0600486828500000/241963 | skos_definition | ef:agent/enrich_references | ef:flow/b1e74578-bc8a-464b-b607-0820db4a33c5/v8 | ef:flow/b1e74578-bc8a-464b-b607-0820db4a33c5/v9 |
| ef:activity/change/20260822T0600486828500000/241964 | references | ef:agent/enrich_references | ef:flow/b1e74578-bc8a-464b-b607-0820db4a33c5/v9 | ef:flow/b1e74578-bc8a-464b-b607-0820db4a33c5/v10 |
| ef:activity/change/20260822T0600486828500000/252579 | properties | ef:agent/rdkit_pre_consensus | ef:flow/b1e74578-bc8a-464b-b607-0820db4a33c5/v10 | ef:flow/b1e74578-bc8a-464b-b607-0820db4a33c5/v11 |
| ef:activity/change/20260822T0600486828500000/265649 | altLabel | ef:agent/consensus_match | ef:flow/b1e74578-bc8a-464b-b607-0820db4a33c5/v11 | ef:flow/b1e74578-bc8a-464b-b607-0820db4a33c5/v12 |
| ef:activity/change/20260822T0600486828500000/265650 | cas_match_labels | ef:agent/consensus_match | ef:flow/b1e74578-bc8a-464b-b607-0820db4a33c5/v12 | ef:flow/b1e74578-bc8a-464b-b607-0820db4a33c5/v13 |
| ef:activity/change/20260822T0600486828500000/277786 | properties | ef:agent/opsin_iupac | ef:flow/b1e74578-bc8a-464b-b607-0820db4a33c5/v13 | ef:flow/b1e74578-bc8a-464b-b607-0820db4a33c5/v14 |
| ef:activity/change/20260822T0600486828500000/284486 | properties | ef:agent/rdkit_post_consensus | ef:flow/b1e74578-bc8a-464b-b607-0820db4a33c5/v14 | ef:flow/b1e74578-bc8a-464b-b607-0820db4a33c5/v15 |
| ef:activity/change/20260822T0600486828500000/290452 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/b1e74578-bc8a-464b-b607-0820db4a33c5/v15 | ef:flow/b1e74578-bc8a-464b-b607-0820db4a33c5/v16 |
| ef:activity/change/20260822T0600486828500000/358812 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/b1e74578-bc8a-464b-b607-0820db4a33c5/v16 | ef:flow/b1e74578-bc8a-464b-b607-0820db4a33c5/v17 |
| ef:activity/change/20260822T0600486828500000/392138 | properties | ef:agent/normalise_property_values | ef:flow/b1e74578-bc8a-464b-b607-0820db4a33c5/v17 | ef:flow/b1e74578-bc8a-464b-b607-0820db4a33c5/v18 |
| ef:activity/change/20260822T0600486828500000/400460 | types | ef:agent/link_flows_to_their_substance | ef:flow/b1e74578-bc8a-464b-b607-0820db4a33c5/v18 | ef:flow/b1e74578-bc8a-464b-b607-0820db4a33c5/v19 |