Methenamine 3-chloroallylochloride
Everything that changed this flow. Back to the flow
8af00506-de0b-4e3f-a426-6bf73e49cccf
By field
14 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 | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 3 catalogue altLabel value(s): 'Dowacil 200' (trade name), 'Dowco 184' (trade name), 'Dowicil 100' (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=methenamine3-chloroallylochloride||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'4080-31-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e60bac26ae13b1fc: {'4080-31-3': '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 |
| ec_numbers | 1 | ec_cross_check | Resolved from EC-inventory: 223-805-0 from CAS 4080-31-3 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['4080-31-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_59607']; candidate_pubchem_cids=[20011, 5475987, 6433396, 6435993, 23424096]; selected_pubchem_cids=[]; 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
21| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 1,215 | bootstrap_labels | prefLabel | — | [{"@value":"methenamine 3-chloroallylochloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pr… | Bootstrapped prefLabel from legacy name field |
| 1,216 | bootstrap_labels | name | methenamine 3-chloroallylochloride | — | Purged legacy name field to enforce prefLabel usage |
| 1,217 | bootstrap_labels | synonyms | ["1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride","1-(3-chloro-2-propenyl)-3,5,7-triaza-1-azoniatricyclo(3.… | [] | Removed legacy synonyms field in favor of structured labels |
| 132,488 | 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 |
| 132,489 | 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 |
| 213,746 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,377 | normalize_name_case | prefLabel | [{"@value":"methenamine 3-chloroallylochloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pr… | [{"@value":"Methenamine 3-chloroallylochloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pr… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 226,726 | ec_cross_check | ec_numbers | [] | ["223-805-0"] | Resolved from EC-inventory: 223-805-0 from CAS 4080-31-3 |
| 228,349 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H16ClN4.… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=0, commonchemistry_cas=['4080-31-3']) |
| 228,350 | enrich_references | skos_definition | — | [{"@value":"A quaternary ammonium salt derived from hexamethylenetetramine; used as a preservative in many cosmetics an… | Merged ChEBI/PubChem definitions into skos:definition |
| 228,351 | enrich_references | references | [] | [{"@id":"beilstein:9300843","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":… | Added references with provenance; cas_numbers=['4080-31-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_59607']; candidate_pubchem_cids=[20011, 5475987, 6433396, 6435993, 23424096]; selected_pubchem_cids=[]; 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 |
| 248,658 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H16ClN4.… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H16Cl2N4… | rdkit_pre_consensus from '[Cl-].[H]C(Cl)=C([H])C[N+]12CN3CN(CN(C3)C1)C2'; added: molecular_formula, monoisotopic_mass |
| 254,533 | chebi_altlabels | altLabel | [] | [{"@value":"1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride","@language":"en","source":{"prov:wasGeneratedBy… | Added 7 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 268,682 | consensus_match | altLabel | [{"@value":"1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride","@language":"en","source":{"prov:wasGeneratedBy… | [{"@value":"1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride","@language":"en","source":{"prov:wasGeneratedBy… | group_key=methenamine3-chloroallylochloride||dimension=Environmental > media=Water > water_body=Long-term; cas=4080-31-3; added Common Chemistry CAS names as altLabel: 1,3,5,7-Tetraazatricyclo[3.3.1.1<sup>3,7</sup>]decane, 3,5,7-triaza-1-azoniatricyclo[3.3.1.1<sup>3,7</sup>]decane deriv., 1-(3-Chloro-2-propenyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1<sup>3,7</sup>]decane chloride, 1-(3-Chloroallyl)-1,3,5,7-tetraazaadamantan-1-iumchloride, 1-(3-Chloroallyl)-3,5,7-triaza-1-azoniadamantane chloride, 1-(3-Chloroallyl)-3,5,7-triaza-1-azoniumadamantane chloride, 3,5,7-Triaza-1-azoniaadamantane, 1-(3-chloroallyl)-, chloride, 3,5,7-Triaza-1-azoniatricyclo[3.3.1.1<sup>3,7</sup>]decane, 1-(3-chloro-2-propen-1-yl)-, chloride (1:1), 3,5,7-Triaza-1-azoniatricyclo[3.3.1.1<sup>3,7</sup>]decane, 1-(3-chloro-2-propenyl)-, chloride, 3-(3′-Chloroallyl)hexamethylenetetraammonium chloride, Dowacil 200, Dowco 184, Dowicide Q, Dowicil 100, Dowicil 75, daoweixier 75; object_uuid=fo-e60bac26ae13b1fc |
| 268,683 | consensus_match | cas_match_labels | — | {"4080-31-3":"exactMatch"} | group_key=methenamine3-chloroallylochloride||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'4080-31-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e60bac26ae13b1fc: {'4080-31-3': 'exactMatch'} |
| 273,797 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H16Cl2N4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H16Cl2N4… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride' |
| 280,177 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H16Cl2N4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H16Cl2N4… | rdkit_post_consensus from 'ClC=CC[N+]12CN3CN(CN(C3)C1)C2.[Cl-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,523 | strip_catalogue_altlabels | altLabel | [{"@value":"1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride","@language":"en","source":{"prov:wasGeneratedBy… | [{"@value":"1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride","@language":"en","source":{"prov:wasGeneratedBy… | Removed 3 catalogue altLabel value(s): 'Dowacil 200' (trade name), 'Dowco 184' (trade name), 'Dowicil 100' (trade name) |
| 347,261 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8af00506-de0b-… | associations resolved on the elementary layer |
| 388,079 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H16Cl2N4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H16Cl2N4… | typed the way the ontology types it |
| 394,672 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | the substance's answer, copied onto its flow |
PROV-O trail
21 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/20260820T1555490862250000/1215 | prefLabel | ef:agent/bootstrap_labels | ef:flow/8af00506-de0b-4e3f-a426-6bf73e49cccf/v0 | ef:flow/8af00506-de0b-4e3f-a426-6bf73e49cccf/v1 |
| ef:activity/change/20260820T1555490862250000/1216 | name | ef:agent/bootstrap_labels | ef:flow/8af00506-de0b-4e3f-a426-6bf73e49cccf/v1 | ef:flow/8af00506-de0b-4e3f-a426-6bf73e49cccf/v2 |
| ef:activity/change/20260820T1555490862250000/1217 | synonyms | ef:agent/bootstrap_labels | ef:flow/8af00506-de0b-4e3f-a426-6bf73e49cccf/v2 | ef:flow/8af00506-de0b-4e3f-a426-6bf73e49cccf/v3 |
| ef:activity/change/20260820T1555490862250000/132488 | context | ef:agent/default_context_mapping | ef:flow/8af00506-de0b-4e3f-a426-6bf73e49cccf/v3 | ef:flow/8af00506-de0b-4e3f-a426-6bf73e49cccf/v4 |
| ef:activity/change/20260820T1555490862250000/132489 | context_iri | ef:agent/default_context_mapping | ef:flow/8af00506-de0b-4e3f-a426-6bf73e49cccf/v4 | ef:flow/8af00506-de0b-4e3f-a426-6bf73e49cccf/v5 |
| ef:activity/change/20260820T1555490862250000/213746 | unit_iri | ef:agent/unit_normalization | ef:flow/8af00506-de0b-4e3f-a426-6bf73e49cccf/v5 | ef:flow/8af00506-de0b-4e3f-a426-6bf73e49cccf/v6 |
| ef:activity/change/20260820T1555490862250000/221377 | prefLabel | ef:agent/normalize_name_case | ef:flow/8af00506-de0b-4e3f-a426-6bf73e49cccf/v6 | ef:flow/8af00506-de0b-4e3f-a426-6bf73e49cccf/v7 |
| ef:activity/change/20260820T1555490862250000/226726 | ec_numbers | ef:agent/ec_cross_check | ef:flow/8af00506-de0b-4e3f-a426-6bf73e49cccf/v7 | ef:flow/8af00506-de0b-4e3f-a426-6bf73e49cccf/v8 |
| ef:activity/change/20260820T1555490862250000/228349 | properties | ef:agent/enrich_references | ef:flow/8af00506-de0b-4e3f-a426-6bf73e49cccf/v8 | ef:flow/8af00506-de0b-4e3f-a426-6bf73e49cccf/v9 |
| ef:activity/change/20260820T1555490862250000/228350 | skos_definition | ef:agent/enrich_references | ef:flow/8af00506-de0b-4e3f-a426-6bf73e49cccf/v9 | ef:flow/8af00506-de0b-4e3f-a426-6bf73e49cccf/v10 |
| ef:activity/change/20260820T1555490862250000/228351 | references | ef:agent/enrich_references | ef:flow/8af00506-de0b-4e3f-a426-6bf73e49cccf/v10 | ef:flow/8af00506-de0b-4e3f-a426-6bf73e49cccf/v11 |
| ef:activity/change/20260820T1555490862250000/248658 | properties | ef:agent/rdkit_pre_consensus | ef:flow/8af00506-de0b-4e3f-a426-6bf73e49cccf/v11 | ef:flow/8af00506-de0b-4e3f-a426-6bf73e49cccf/v12 |
| ef:activity/change/20260820T1555490862250000/254533 | altLabel | ef:agent/chebi_altlabels | ef:flow/8af00506-de0b-4e3f-a426-6bf73e49cccf/v12 | ef:flow/8af00506-de0b-4e3f-a426-6bf73e49cccf/v13 |
| ef:activity/change/20260820T1555490862250000/268682 | altLabel | ef:agent/consensus_match | ef:flow/8af00506-de0b-4e3f-a426-6bf73e49cccf/v13 | ef:flow/8af00506-de0b-4e3f-a426-6bf73e49cccf/v14 |
| ef:activity/change/20260820T1555490862250000/268683 | cas_match_labels | ef:agent/consensus_match | ef:flow/8af00506-de0b-4e3f-a426-6bf73e49cccf/v14 | ef:flow/8af00506-de0b-4e3f-a426-6bf73e49cccf/v15 |
| ef:activity/change/20260820T1555490862250000/273797 | properties | ef:agent/opsin_iupac | ef:flow/8af00506-de0b-4e3f-a426-6bf73e49cccf/v15 | ef:flow/8af00506-de0b-4e3f-a426-6bf73e49cccf/v16 |
| ef:activity/change/20260820T1555490862250000/280177 | properties | ef:agent/rdkit_post_consensus | ef:flow/8af00506-de0b-4e3f-a426-6bf73e49cccf/v16 | ef:flow/8af00506-de0b-4e3f-a426-6bf73e49cccf/v17 |
| ef:activity/change/20260820T1555490862250000/287523 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/8af00506-de0b-4e3f-a426-6bf73e49cccf/v17 | ef:flow/8af00506-de0b-4e3f-a426-6bf73e49cccf/v18 |
| ef:activity/change/20260820T1555490862250000/347261 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/8af00506-de0b-4e3f-a426-6bf73e49cccf/v18 | ef:flow/8af00506-de0b-4e3f-a426-6bf73e49cccf/v19 |
| ef:activity/change/20260820T1555490862250000/388079 | properties | ef:agent/normalise_property_values | ef:flow/8af00506-de0b-4e3f-a426-6bf73e49cccf/v19 | ef:flow/8af00506-de0b-4e3f-a426-6bf73e49cccf/v20 |
| ef:activity/change/20260820T1555490862250000/394672 | types | ef:agent/link_flows_to_their_substance | ef:flow/8af00506-de0b-4e3f-a426-6bf73e49cccf/v20 | ef:flow/8af00506-de0b-4e3f-a426-6bf73e49cccf/v21 |