Tetrapropylammonium bromide
Everything that changed this flow. Back to the flow
014da380-0af0-43f1-b378-d5268a95bede
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 | 4 | chebi_altlabels, consensus_match, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | cas=1941-30-6; cc_chebi_agreed_name='Tetrapropylammonium bromide'; object_uuid=fo-581244e47cc736b9 |
| cas_match_labels | 1 | consensus_match | group_key=n,n,n-tripropylpropan-1-aminiumbromide||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'1941-30-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-581244e47cc736b9: {'1941-30-6': '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, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['1941-30-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_55318']; candidate_pubchem_cids=[9559, 74745]; selected_pubchem_cids=[74745]; 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
22| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 1,155 | bootstrap_labels | prefLabel | — | [{"@value":"n,n,n-tripropylpropan-1-aminium bromide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels… | Bootstrapped prefLabel from legacy name field |
| 1,156 | bootstrap_labels | name | n,n,n-tripropylpropan-1-aminium bromide | — | Purged legacy name field to enforce prefLabel usage |
| 1,157 | bootstrap_labels | synonyms | ["organic","tetrapropylammoniumbromide"] | [] | Removed legacy synonyms field in favor of structured labels |
| 26,694 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 26,695 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 213,726 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,364 | normalize_name_case | prefLabel | [{"@value":"n,n,n-tripropylpropan-1-aminium bromide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels… | [{"@value":"N,n,n-tripropylpropan-1-aminium Bromide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 228,290 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Br.C12H28N… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 228,291 | enrich_references | skos_definition | — | [{"@value":"A quarternary ammonium bromide salt in which the cation has four propyl substituents around the central nit… | Merged ChEBI/PubChem definitions into skos:definition |
| 228,292 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.016.116","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['1941-30-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_55318']; candidate_pubchem_cids=[9559, 74745]; selected_pubchem_cids=[74745]; 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 |
| 248,639 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Br.C12H28N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Br.C12H28N… | rdkit_pre_consensus from 'CCC[N+](CCC)(CCC)CCC.[Br-]'; added: monoisotopic_mass |
| 254,527 | chebi_altlabels | altLabel | [] | [{"@value":"N,N,N-tripropyl-1-propanaminium bromide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels"… | Added 3 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 269,196 | consensus_match | prefLabel | [{"@value":"N,n,n-tripropylpropan-1-aminium Bromide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels… | [{"@value":"Tetrapropylammonium bromide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAt… | cas=1941-30-6; cc_chebi_agreed_name='Tetrapropylammonium bromide'; object_uuid=fo-581244e47cc736b9 |
| 269,197 | consensus_match | altLabel | [{"@value":"N,N,N-tripropyl-1-propanaminium bromide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels"… | [{"@value":"N,N,N-tripropyl-1-propanaminium bromide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels"… | cas=1941-30-6; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-581244e47cc736b9 |
| 269,198 | consensus_match | altLabel | [{"@value":"N,N,N-tripropyl-1-propanaminium bromide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels"… | [{"@value":"N,N,N-tripropyl-1-propanaminium bromide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels"… | group_key=n,n,n-tripropylpropan-1-aminiumbromide||dimension=Environmental > media=Air > strata=Unknown; cas=1941-30-6; added Common Chemistry CAS names as altLabel: 1-Propanaminium, <em>N</em>,<em>N</em>,<em>N</em>-tripropyl-, bromide, 1-Propanaminium, <em>N</em>,<em>N</em>,<em>N</em>-tripropyl-, bromide (1:1), Ammonium, tetrapropyl-, bromide, TPABr; object_uuid=fo-581244e47cc736b9 |
| 269,199 | consensus_match | cas_match_labels | — | {"1941-30-6":"exactMatch"} | group_key=n,n,n-tripropylpropan-1-aminiumbromide||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'1941-30-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-581244e47cc736b9: {'1941-30-6': 'exactMatch'} |
| 273,777 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Br.C12H28N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Br.C12H28N… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Tetrapropylammonium bromide' |
| 280,156 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Br.C12H28N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Br.C12H28N… | rdkit_post_consensus from 'CCC[N+](CCC)(CCC)CCC.[Br-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,035 | dedupe_altlabels | altLabel | [{"@value":"N,N,N-tripropyl-1-propanaminium bromide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels"… | [{"@value":"N,N,N-tripropyl-1-propanaminium bromide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels"… | Deduplicated altLabel values and removed entries matching prefLabel |
| 294,411 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/014da380-0af0-… | associations resolved on the elementary layer |
| 388,058 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Br.C12H28N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Br.C12H28N… | typed the way the ontology types it |
| 394,647 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | the substance's answer, copied onto its flow |
PROV-O trail
22 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/20260820T1416470405690000/1155 | prefLabel | ef:agent/bootstrap_labels | ef:flow/014da380-0af0-43f1-b378-d5268a95bede/v0 | ef:flow/014da380-0af0-43f1-b378-d5268a95bede/v1 |
| ef:activity/change/20260820T1416470405690000/1156 | name | ef:agent/bootstrap_labels | ef:flow/014da380-0af0-43f1-b378-d5268a95bede/v1 | ef:flow/014da380-0af0-43f1-b378-d5268a95bede/v2 |
| ef:activity/change/20260820T1416470405690000/1157 | synonyms | ef:agent/bootstrap_labels | ef:flow/014da380-0af0-43f1-b378-d5268a95bede/v2 | ef:flow/014da380-0af0-43f1-b378-d5268a95bede/v3 |
| ef:activity/change/20260820T1416470405690000/26694 | context | ef:agent/default_context_mapping | ef:flow/014da380-0af0-43f1-b378-d5268a95bede/v3 | ef:flow/014da380-0af0-43f1-b378-d5268a95bede/v4 |
| ef:activity/change/20260820T1416470405690000/26695 | context_iri | ef:agent/default_context_mapping | ef:flow/014da380-0af0-43f1-b378-d5268a95bede/v4 | ef:flow/014da380-0af0-43f1-b378-d5268a95bede/v5 |
| ef:activity/change/20260820T1416470405690000/213726 | unit_iri | ef:agent/unit_normalization | ef:flow/014da380-0af0-43f1-b378-d5268a95bede/v5 | ef:flow/014da380-0af0-43f1-b378-d5268a95bede/v6 |
| ef:activity/change/20260820T1416470405690000/221364 | prefLabel | ef:agent/normalize_name_case | ef:flow/014da380-0af0-43f1-b378-d5268a95bede/v6 | ef:flow/014da380-0af0-43f1-b378-d5268a95bede/v7 |
| ef:activity/change/20260820T1416470405690000/228290 | properties | ef:agent/enrich_references | ef:flow/014da380-0af0-43f1-b378-d5268a95bede/v7 | ef:flow/014da380-0af0-43f1-b378-d5268a95bede/v8 |
| ef:activity/change/20260820T1416470405690000/228291 | skos_definition | ef:agent/enrich_references | ef:flow/014da380-0af0-43f1-b378-d5268a95bede/v8 | ef:flow/014da380-0af0-43f1-b378-d5268a95bede/v9 |
| ef:activity/change/20260820T1416470405690000/228292 | references | ef:agent/enrich_references | ef:flow/014da380-0af0-43f1-b378-d5268a95bede/v9 | ef:flow/014da380-0af0-43f1-b378-d5268a95bede/v10 |
| ef:activity/change/20260820T1416470405690000/248639 | properties | ef:agent/rdkit_pre_consensus | ef:flow/014da380-0af0-43f1-b378-d5268a95bede/v10 | ef:flow/014da380-0af0-43f1-b378-d5268a95bede/v11 |
| ef:activity/change/20260820T1416470405690000/254527 | altLabel | ef:agent/chebi_altlabels | ef:flow/014da380-0af0-43f1-b378-d5268a95bede/v11 | ef:flow/014da380-0af0-43f1-b378-d5268a95bede/v12 |
| ef:activity/change/20260820T1416470405690000/269196 | prefLabel | ef:agent/consensus_match | ef:flow/014da380-0af0-43f1-b378-d5268a95bede/v12 | ef:flow/014da380-0af0-43f1-b378-d5268a95bede/v13 |
| ef:activity/change/20260820T1416470405690000/269197 | altLabel | ef:agent/consensus_match | ef:flow/014da380-0af0-43f1-b378-d5268a95bede/v13 | ef:flow/014da380-0af0-43f1-b378-d5268a95bede/v14 |
| ef:activity/change/20260820T1416470405690000/269198 | altLabel | ef:agent/consensus_match | ef:flow/014da380-0af0-43f1-b378-d5268a95bede/v14 | ef:flow/014da380-0af0-43f1-b378-d5268a95bede/v15 |
| ef:activity/change/20260820T1416470405690000/269199 | cas_match_labels | ef:agent/consensus_match | ef:flow/014da380-0af0-43f1-b378-d5268a95bede/v15 | ef:flow/014da380-0af0-43f1-b378-d5268a95bede/v16 |
| ef:activity/change/20260820T1416470405690000/273777 | properties | ef:agent/opsin_iupac | ef:flow/014da380-0af0-43f1-b378-d5268a95bede/v16 | ef:flow/014da380-0af0-43f1-b378-d5268a95bede/v17 |
| ef:activity/change/20260820T1416470405690000/280156 | properties | ef:agent/rdkit_post_consensus | ef:flow/014da380-0af0-43f1-b378-d5268a95bede/v17 | ef:flow/014da380-0af0-43f1-b378-d5268a95bede/v18 |
| ef:activity/change/20260820T1416470405690000/292035 | altLabel | ef:agent/dedupe_altlabels | ef:flow/014da380-0af0-43f1-b378-d5268a95bede/v18 | ef:flow/014da380-0af0-43f1-b378-d5268a95bede/v19 |
| ef:activity/change/20260820T1416470405690000/294411 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/014da380-0af0-43f1-b378-d5268a95bede/v19 | ef:flow/014da380-0af0-43f1-b378-d5268a95bede/v20 |
| ef:activity/change/20260820T1416470405690000/388058 | properties | ef:agent/normalise_property_values | ef:flow/014da380-0af0-43f1-b378-d5268a95bede/v20 | ef:flow/014da380-0af0-43f1-b378-d5268a95bede/v21 |
| ef:activity/change/20260820T1416470405690000/394647 | types | ef:agent/link_flows_to_their_substance | ef:flow/014da380-0af0-43f1-b378-d5268a95bede/v21 | ef:flow/014da380-0af0-43f1-b378-d5268a95bede/v22 |