Tetradonium Bromide
Everything that changed this flow. Back to the flow
c0f5c7da-8562-45d7-8b8e-151be8fdeb4c
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=tetradoniumbromide||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1119-97-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e02d0b4438585052: {'1119-97-7': '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 |
| 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 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['1119-97-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[14250, 546977]; selected_pubchem_cids=[14250]; 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 |
|---|---|---|---|---|---|
| 19,312 | bootstrap_labels | prefLabel | — | [{"@value":"tetradonium bromide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribute… | Bootstrapped prefLabel from legacy name field |
| 19,313 | bootstrap_labels | name | tetradonium bromide | — | Purged legacy name field to enforce prefLabel usage |
| 19,314 | bootstrap_labels | synonyms | ["1-Tetradecanaminium, N,N,N-trimethyl-, bromide","1-Tetradecanaminium, N,N,N-trimethyl-, bromide (1:1)","AC1L23FK","AM… | [] | Removed legacy synonyms field in favor of structured labels |
| 164,124 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 164,125 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 219,629 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,481 | normalize_name_case | prefLabel | [{"@value":"tetradonium bromide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribute… | [{"@value":"Tetradonium Bromide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribute… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 245,142 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H38BrN"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 245,143 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 245,144 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.012.993","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['1119-97-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[14250, 546977]; selected_pubchem_cids=[14250]; 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 |
| 253,491 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H38BrN"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H38BrN"… | rdkit_pre_consensus from 'CCCCCCCCCCCCCC[N+](C)(C)C.[Br-]'; added: molecular_mass, monoisotopic_mass |
| 272,403 | consensus_match | altLabel | [] | [{"@value":"(1-Tetradecyl)trimethylammonium bromide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match"… | group_key=tetradoniumbromide||dimension=Environmental > media=Water > water_body=Surface water; cas=1119-97-7; added Common Chemistry CAS names as altLabel: (1-Tetradecyl)trimethylammonium bromide, 1-Tetradecanaminium, <em>N</em>,<em>N</em>,<em>N</em>-trimethyl-, bromide, 1-Tetradecanaminium, <em>N</em>,<em>N</em>,<em>N</em>-trimethyl-, bromide (1:1), <em>N</em>,<em>N</em>,<em>N</em>-Trimethyl-1-tetradecanaminium bromide, <em>N</em>-Tetradecyl-<em>N</em>,<em>N</em>,<em>N</em>-trimethylammonium bromide, <em>n</em>-Tetradecyltrimethylammonium bromide, Ammonium, trimethyltetradecyl-, bromide, C14TAB, Cetrimide BP, MTAB, MiTMAB, Microcide II, Morpan T, Myristyltrimethylammonium bromide, Myrtrimonium bromide, Mytab, Pentonium 4Br40, Quaternium 13, Querton 14Br40, TTAB, TTAB (surfactant), Tetradecyltrimethylammonium bromide, Trimethylmyristylammonium bromide, Trimethyltetradecylammonium bromide; object_uuid=fo-e02d0b4438585052 |
| 272,404 | consensus_match | cas_match_labels | — | {"1119-97-7":"exactMatch"} | group_key=tetradoniumbromide||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1119-97-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e02d0b4438585052: {'1119-97-7': 'exactMatch'} |
| 278,707 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H38BrN"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H38BrN"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '(1-Tetradecyl)trimethylammonium bromide' |
| 285,490 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H38BrN"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H38BrN"… | rdkit_post_consensus from 'CCCCCCCCCCCCCC[N+](C)(C)C.[Br-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 293,026 | dedupe_altlabels | altLabel | [{"@value":"(1-Tetradecyl)trimethylammonium bromide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match"… | [{"@value":"(1-Tetradecyl)trimethylammonium bromide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match"… | Deduplicated altLabel values and removed entries matching prefLabel |
| 363,088 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/c0f5c7da-8562-… | associations resolved on the elementary layer |
| 393,076 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H38BrN"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H38BrN"… | typed the way the ontology types it |
| 401,848 | 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/20260821T1554374006150000/19312 | prefLabel | ef:agent/bootstrap_labels | ef:flow/c0f5c7da-8562-45d7-8b8e-151be8fdeb4c/v0 | ef:flow/c0f5c7da-8562-45d7-8b8e-151be8fdeb4c/v1 |
| ef:activity/change/20260821T1554374006150000/19313 | name | ef:agent/bootstrap_labels | ef:flow/c0f5c7da-8562-45d7-8b8e-151be8fdeb4c/v1 | ef:flow/c0f5c7da-8562-45d7-8b8e-151be8fdeb4c/v2 |
| ef:activity/change/20260821T1554374006150000/19314 | synonyms | ef:agent/bootstrap_labels | ef:flow/c0f5c7da-8562-45d7-8b8e-151be8fdeb4c/v2 | ef:flow/c0f5c7da-8562-45d7-8b8e-151be8fdeb4c/v3 |
| ef:activity/change/20260821T1554374006150000/164124 | context | ef:agent/default_context_mapping | ef:flow/c0f5c7da-8562-45d7-8b8e-151be8fdeb4c/v3 | ef:flow/c0f5c7da-8562-45d7-8b8e-151be8fdeb4c/v4 |
| ef:activity/change/20260821T1554374006150000/164125 | context_iri | ef:agent/default_context_mapping | ef:flow/c0f5c7da-8562-45d7-8b8e-151be8fdeb4c/v4 | ef:flow/c0f5c7da-8562-45d7-8b8e-151be8fdeb4c/v5 |
| ef:activity/change/20260821T1554374006150000/219629 | unit_iri | ef:agent/unit_normalization | ef:flow/c0f5c7da-8562-45d7-8b8e-151be8fdeb4c/v5 | ef:flow/c0f5c7da-8562-45d7-8b8e-151be8fdeb4c/v6 |
| ef:activity/change/20260821T1554374006150000/225481 | prefLabel | ef:agent/normalize_name_case | ef:flow/c0f5c7da-8562-45d7-8b8e-151be8fdeb4c/v6 | ef:flow/c0f5c7da-8562-45d7-8b8e-151be8fdeb4c/v7 |
| ef:activity/change/20260821T1554374006150000/245142 | properties | ef:agent/enrich_references | ef:flow/c0f5c7da-8562-45d7-8b8e-151be8fdeb4c/v7 | ef:flow/c0f5c7da-8562-45d7-8b8e-151be8fdeb4c/v8 |
| ef:activity/change/20260821T1554374006150000/245143 | skos_definition | ef:agent/enrich_references | ef:flow/c0f5c7da-8562-45d7-8b8e-151be8fdeb4c/v8 | ef:flow/c0f5c7da-8562-45d7-8b8e-151be8fdeb4c/v9 |
| ef:activity/change/20260821T1554374006150000/245144 | references | ef:agent/enrich_references | ef:flow/c0f5c7da-8562-45d7-8b8e-151be8fdeb4c/v9 | ef:flow/c0f5c7da-8562-45d7-8b8e-151be8fdeb4c/v10 |
| ef:activity/change/20260821T1554374006150000/253491 | properties | ef:agent/rdkit_pre_consensus | ef:flow/c0f5c7da-8562-45d7-8b8e-151be8fdeb4c/v10 | ef:flow/c0f5c7da-8562-45d7-8b8e-151be8fdeb4c/v11 |
| ef:activity/change/20260821T1554374006150000/272403 | altLabel | ef:agent/consensus_match | ef:flow/c0f5c7da-8562-45d7-8b8e-151be8fdeb4c/v11 | ef:flow/c0f5c7da-8562-45d7-8b8e-151be8fdeb4c/v12 |
| ef:activity/change/20260821T1554374006150000/272404 | cas_match_labels | ef:agent/consensus_match | ef:flow/c0f5c7da-8562-45d7-8b8e-151be8fdeb4c/v12 | ef:flow/c0f5c7da-8562-45d7-8b8e-151be8fdeb4c/v13 |
| ef:activity/change/20260821T1554374006150000/278707 | properties | ef:agent/opsin_iupac | ef:flow/c0f5c7da-8562-45d7-8b8e-151be8fdeb4c/v13 | ef:flow/c0f5c7da-8562-45d7-8b8e-151be8fdeb4c/v14 |
| ef:activity/change/20260821T1554374006150000/285490 | properties | ef:agent/rdkit_post_consensus | ef:flow/c0f5c7da-8562-45d7-8b8e-151be8fdeb4c/v14 | ef:flow/c0f5c7da-8562-45d7-8b8e-151be8fdeb4c/v15 |
| ef:activity/change/20260821T1554374006150000/293026 | altLabel | ef:agent/dedupe_altlabels | ef:flow/c0f5c7da-8562-45d7-8b8e-151be8fdeb4c/v15 | ef:flow/c0f5c7da-8562-45d7-8b8e-151be8fdeb4c/v16 |
| ef:activity/change/20260821T1554374006150000/363088 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/c0f5c7da-8562-45d7-8b8e-151be8fdeb4c/v16 | ef:flow/c0f5c7da-8562-45d7-8b8e-151be8fdeb4c/v17 |
| ef:activity/change/20260821T1554374006150000/393076 | properties | ef:agent/normalise_property_values | ef:flow/c0f5c7da-8562-45d7-8b8e-151be8fdeb4c/v17 | ef:flow/c0f5c7da-8562-45d7-8b8e-151be8fdeb4c/v18 |
| ef:activity/change/20260821T1554374006150000/401848 | types | ef:agent/link_flows_to_their_substance | ef:flow/c0f5c7da-8562-45d7-8b8e-151be8fdeb4c/v18 | ef:flow/c0f5c7da-8562-45d7-8b8e-151be8fdeb4c/v19 |