Benzyltributylammonium 4-hydroxynaphthalene-1-sulfonate
Everything that changed this flow. Back to the flow
623bc6eb-01a1-4015-8679-cdbbf81b06df
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 2 catalogue altLabel value(s): 'P 51' (grade code), 'P 51 (quaternary compound)' (grade code) |
| 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=benzyltributylammonium4-hydroxynaphthalene-1-sulfonate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'102561-46-6': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c866afc30cbb01ec: {'102561-46-6': '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 urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['102561-46-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[124610]; selected_pubchem_cids=[124610]; 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 |
|---|---|---|---|---|---|
| 12,337 | bootstrap_labels | prefLabel | — | [{"@value":"benzyltributylammonium 4-hydroxynaphthalene-1-sulfonate","@language":"en","source":{"prov:wasGeneratedBy":"… | Bootstrapped prefLabel from legacy name field |
| 12,338 | bootstrap_labels | name | benzyltributylammonium 4-hydroxynaphthalene-1-sulfonate | — | Purged legacy name field to enforce prefLabel usage |
| 12,339 | bootstrap_labels | synonyms | ["benzyltributylammonium4-hydroxynaphthalene-1-sulfonate","benzyltributylammonium4-hydroxynaphthalene-1-sulphonate","bo… | [] | Removed legacy synonyms field in favor of structured labels |
| 108,094 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 108,095 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 217,421 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,952 | normalize_name_case | prefLabel | [{"@value":"benzyltributylammonium 4-hydroxynaphthalene-1-sulfonate","@language":"en","source":{"prov:wasGeneratedBy":"… | [{"@value":"Benzyltributylammonium 4-hydroxynaphthalene-1-sulfonate","@language":"en","source":{"prov:wasGeneratedBy":"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 238,895 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H41NO4S… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 238,896 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 238,897 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.100.408","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['102561-46-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[124610]; selected_pubchem_cids=[124610]; 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 |
| 251,681 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H41NO4S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H41NO4S… | rdkit_pre_consensus from 'CCCC[N+](CCCC)(CCCC)CC1=CC=CC=C1.C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])O'; added: molecular_mass, monoisotopic_mass |
| 264,222 | consensus_match | altLabel | [] | [{"@value":"1-Naphthalenesulfonic acid, 4-hydroxy-, ion(1-), <em>N</em>,<em>N</em>,<em>N</em>-tributylbenzenemethanamin… | group_key=benzyltributylammonium4-hydroxynaphthalene-1-sulfonate||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=102561-46-6; added Common Chemistry CAS names as altLabel: 1-Naphthalenesulfonic acid, 4-hydroxy-, ion(1-), <em>N</em>,<em>N</em>,<em>N</em>-tributylbenzenemethanaminium, Benzenemethanaminium, <em>N</em>,<em>N</em>,<em>N</em>-tributyl-, 4-hydroxy-1-naphthalenesulfonate (1:1), Benzenemethanaminium, <em>N</em>,<em>N</em>,<em>N</em>-tributyl-, salt with 4-hydroxy-1-naphthalenesulfonic acid (1:1), P 51, P 51 (quaternary compound), Tributylbenzylammonium 1-naphthol-4-sulfonate; object_uuid=fo-c866afc30cbb01ec |
| 264,223 | consensus_match | cas_match_labels | — | {"102561-46-6":"exactMatch"} | group_key=benzyltributylammonium4-hydroxynaphthalene-1-sulfonate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'102561-46-6': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c866afc30cbb01ec: {'102561-46-6': 'exactMatch'} |
| 276,867 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H41NO4S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H41NO4S… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Benzyltributylammonium 4-hydroxynaphthalene-1-sulfonate' |
| 283,513 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H41NO4S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H41NO4S… | rdkit_post_consensus from 'CCCC[N+](CCCC)(CCCC)Cc1ccccc1.O=S(=O)([O-])c1ccc(O)c2ccccc12'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,796 | strip_catalogue_altlabels | altLabel | [{"@value":"1-Naphthalenesulfonic acid, 4-hydroxy-, ion(1-), <em>N</em>,<em>N</em>,<em>N</em>-tributylbenzenemethanamin… | [{"@value":"1-Naphthalenesulfonic acid, 4-hydroxy-, ion(1-), N,N,N-tributylbenzenemethanaminium","@language":"en","sour… | Removed 2 catalogue altLabel value(s): 'P 51' (grade code), 'P 51 (quaternary compound)' (grade code) |
| 335,045 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/623bc6eb-01a1-… | associations resolved on the elementary layer |
| 391,226 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H41NO4S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C29H41NO4S… | typed the way the ontology types it |
| 399,164 | 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/20260821T1554374006150000/12337 | prefLabel | ef:agent/bootstrap_labels | ef:flow/623bc6eb-01a1-4015-8679-cdbbf81b06df/v0 | ef:flow/623bc6eb-01a1-4015-8679-cdbbf81b06df/v1 |
| ef:activity/change/20260821T1554374006150000/12338 | name | ef:agent/bootstrap_labels | ef:flow/623bc6eb-01a1-4015-8679-cdbbf81b06df/v1 | ef:flow/623bc6eb-01a1-4015-8679-cdbbf81b06df/v2 |
| ef:activity/change/20260821T1554374006150000/12339 | synonyms | ef:agent/bootstrap_labels | ef:flow/623bc6eb-01a1-4015-8679-cdbbf81b06df/v2 | ef:flow/623bc6eb-01a1-4015-8679-cdbbf81b06df/v3 |
| ef:activity/change/20260821T1554374006150000/108094 | context | ef:agent/default_context_mapping | ef:flow/623bc6eb-01a1-4015-8679-cdbbf81b06df/v3 | ef:flow/623bc6eb-01a1-4015-8679-cdbbf81b06df/v4 |
| ef:activity/change/20260821T1554374006150000/108095 | context_iri | ef:agent/default_context_mapping | ef:flow/623bc6eb-01a1-4015-8679-cdbbf81b06df/v4 | ef:flow/623bc6eb-01a1-4015-8679-cdbbf81b06df/v5 |
| ef:activity/change/20260821T1554374006150000/217421 | unit_iri | ef:agent/unit_normalization | ef:flow/623bc6eb-01a1-4015-8679-cdbbf81b06df/v5 | ef:flow/623bc6eb-01a1-4015-8679-cdbbf81b06df/v6 |
| ef:activity/change/20260821T1554374006150000/223952 | prefLabel | ef:agent/normalize_name_case | ef:flow/623bc6eb-01a1-4015-8679-cdbbf81b06df/v6 | ef:flow/623bc6eb-01a1-4015-8679-cdbbf81b06df/v7 |
| ef:activity/change/20260821T1554374006150000/238895 | properties | ef:agent/enrich_references | ef:flow/623bc6eb-01a1-4015-8679-cdbbf81b06df/v7 | ef:flow/623bc6eb-01a1-4015-8679-cdbbf81b06df/v8 |
| ef:activity/change/20260821T1554374006150000/238896 | skos_definition | ef:agent/enrich_references | ef:flow/623bc6eb-01a1-4015-8679-cdbbf81b06df/v8 | ef:flow/623bc6eb-01a1-4015-8679-cdbbf81b06df/v9 |
| ef:activity/change/20260821T1554374006150000/238897 | references | ef:agent/enrich_references | ef:flow/623bc6eb-01a1-4015-8679-cdbbf81b06df/v9 | ef:flow/623bc6eb-01a1-4015-8679-cdbbf81b06df/v10 |
| ef:activity/change/20260821T1554374006150000/251681 | properties | ef:agent/rdkit_pre_consensus | ef:flow/623bc6eb-01a1-4015-8679-cdbbf81b06df/v10 | ef:flow/623bc6eb-01a1-4015-8679-cdbbf81b06df/v11 |
| ef:activity/change/20260821T1554374006150000/264222 | altLabel | ef:agent/consensus_match | ef:flow/623bc6eb-01a1-4015-8679-cdbbf81b06df/v11 | ef:flow/623bc6eb-01a1-4015-8679-cdbbf81b06df/v12 |
| ef:activity/change/20260821T1554374006150000/264223 | cas_match_labels | ef:agent/consensus_match | ef:flow/623bc6eb-01a1-4015-8679-cdbbf81b06df/v12 | ef:flow/623bc6eb-01a1-4015-8679-cdbbf81b06df/v13 |
| ef:activity/change/20260821T1554374006150000/276867 | properties | ef:agent/opsin_iupac | ef:flow/623bc6eb-01a1-4015-8679-cdbbf81b06df/v13 | ef:flow/623bc6eb-01a1-4015-8679-cdbbf81b06df/v14 |
| ef:activity/change/20260821T1554374006150000/283513 | properties | ef:agent/rdkit_post_consensus | ef:flow/623bc6eb-01a1-4015-8679-cdbbf81b06df/v14 | ef:flow/623bc6eb-01a1-4015-8679-cdbbf81b06df/v15 |
| ef:activity/change/20260821T1554374006150000/289796 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/623bc6eb-01a1-4015-8679-cdbbf81b06df/v15 | ef:flow/623bc6eb-01a1-4015-8679-cdbbf81b06df/v16 |
| ef:activity/change/20260821T1554374006150000/335045 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/623bc6eb-01a1-4015-8679-cdbbf81b06df/v16 | ef:flow/623bc6eb-01a1-4015-8679-cdbbf81b06df/v17 |
| ef:activity/change/20260821T1554374006150000/391226 | properties | ef:agent/normalise_property_values | ef:flow/623bc6eb-01a1-4015-8679-cdbbf81b06df/v17 | ef:flow/623bc6eb-01a1-4015-8679-cdbbf81b06df/v18 |
| ef:activity/change/20260821T1554374006150000/399164 | types | ef:agent/link_flows_to_their_substance | ef:flow/623bc6eb-01a1-4015-8679-cdbbf81b06df/v18 | ef:flow/623bc6eb-01a1-4015-8679-cdbbf81b06df/v19 |