Terbutaline
Everything that changed this flow. Back to the flow
08a91e70-3ddc-11dd-9216-0050c2490048
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 | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'KWD 2019' (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=terbutaline||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'23031-25-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b017c27c1210f2fc: {'23031-25-6': '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=['23031-25-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_9449']; candidate_pubchem_cids=[5403, 6604023, 119090983]; selected_pubchem_cids=[5403]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 7,102 | bootstrap_labels | prefLabel | — | [{"@value":"terbutaline","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"co… | Bootstrapped prefLabel from legacy name field |
| 7,103 | bootstrap_labels | name | terbutaline | — | Purged legacy name field to enforce prefLabel usage |
| 7,104 | bootstrap_labels | synonyms | ["(+-)-5-(2-((1,1-Dimethylethyl)amino)-1-hydroxyethyl)-1,3-benzenediol","(+-)-Terbutaline","1,3-Benzenediol, 5-(2-((1,1… | [] | Removed legacy synonyms field in favor of structured labels |
| 33,094 | 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 |
| 33,095 | 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 |
| 215,710 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,725 | normalize_name_case | prefLabel | [{"@value":"terbutaline","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"co… | [{"@value":"Terbutaline","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"co… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 233,990 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H19NO3"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 233,991 | enrich_references | skos_definition | — | [{"@value":"A member of the class of phenylethanolamines that is catechol substituted at position 5 by a 2-(tert-butyla… | Merged ChEBI/PubChem definitions into skos:definition |
| 233,992 | enrich_references | references | [] | [{"@id":"drugcentral:2598","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['23031-25-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_9449']; candidate_pubchem_cids=[5403, 6604023, 119090983]; selected_pubchem_cids=[5403]; 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 |
| 250,280 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H19NO3"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H19NO3"… | rdkit_pre_consensus from 'CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O'; added: monoisotopic_mass |
| 255,276 | chebi_altlabels | altLabel | [] | [{"@value":"5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol","@language":"en","source":{"prov:wasGeneratedBy":"c… | Added 3 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 272,288 | consensus_match | altLabel | [{"@value":"5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol","@language":"en","source":{"prov:wasGeneratedBy":"c… | [{"@value":"5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol","@language":"en","source":{"prov:wasGeneratedBy":"c… | group_key=terbutaline||dimension=Environmental > media=Air > strata=Unknown; cas=23031-25-6; added Common Chemistry CAS names as altLabel: (±)-Terbutaline, 1,3-Benzenediol, 5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-, 1-(3,5-Dihydroxyphenyl)-2-(<em>tert</em>-butylamino)ethanol, 5-[2-[(1,1-Dimethylethyl)amino]-1-hydroxyethyl]-1,3-benzenediol, AR-D 080301, AR-DO80301, Aerodur, Benzyl alcohol, α-[(<em>tert</em>-butylamino)methyl]-3,5-dihydroxy-, Brican, Bricar, Bricaril, Bricyn, Fasma, KWD 2019, MeSH ID: D013726, Terbutalin; object_uuid=fo-b017c27c1210f2fc |
| 272,289 | consensus_match | cas_match_labels | — | {"23031-25-6":"exactMatch"} | group_key=terbutaline||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'23031-25-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b017c27c1210f2fc: {'23031-25-6': 'exactMatch'} |
| 275,427 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H19NO3"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H19NO3"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol' |
| 281,943 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H19NO3"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H19NO3"… | rdkit_post_consensus from 'CC(C)(C)NCC(O)c1cc(O)cc(O)c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,707 | strip_catalogue_altlabels | altLabel | [{"@value":"5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol","@language":"en","source":{"prov:wasGeneratedBy":"c… | [{"@value":"5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol","@language":"en","source":{"prov:wasGeneratedBy":"c… | Removed 1 catalogue altLabel value(s): 'KWD 2019' (grade code) |
| 297,581 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/08a91e70-3ddc-… | associations resolved on the elementary layer |
| 389,736 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H19NO3"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H19NO3"… | typed the way the ontology types it |
| 397,016 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260821T1302361922970000/7102 | prefLabel | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-9216-0050c2490048/v0 | ef:flow/08a91e70-3ddc-11dd-9216-0050c2490048/v1 |
| ef:activity/change/20260821T1302361922970000/7103 | name | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-9216-0050c2490048/v1 | ef:flow/08a91e70-3ddc-11dd-9216-0050c2490048/v2 |
| ef:activity/change/20260821T1302361922970000/7104 | synonyms | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-9216-0050c2490048/v2 | ef:flow/08a91e70-3ddc-11dd-9216-0050c2490048/v3 |
| ef:activity/change/20260821T1302361922970000/33094 | context | ef:agent/default_context_mapping | ef:flow/08a91e70-3ddc-11dd-9216-0050c2490048/v3 | ef:flow/08a91e70-3ddc-11dd-9216-0050c2490048/v4 |
| ef:activity/change/20260821T1302361922970000/33095 | context_iri | ef:agent/default_context_mapping | ef:flow/08a91e70-3ddc-11dd-9216-0050c2490048/v4 | ef:flow/08a91e70-3ddc-11dd-9216-0050c2490048/v5 |
| ef:activity/change/20260821T1302361922970000/215710 | unit_iri | ef:agent/unit_normalization | ef:flow/08a91e70-3ddc-11dd-9216-0050c2490048/v5 | ef:flow/08a91e70-3ddc-11dd-9216-0050c2490048/v6 |
| ef:activity/change/20260821T1302361922970000/222725 | prefLabel | ef:agent/normalize_name_case | ef:flow/08a91e70-3ddc-11dd-9216-0050c2490048/v6 | ef:flow/08a91e70-3ddc-11dd-9216-0050c2490048/v7 |
| ef:activity/change/20260821T1302361922970000/233990 | properties | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-9216-0050c2490048/v7 | ef:flow/08a91e70-3ddc-11dd-9216-0050c2490048/v8 |
| ef:activity/change/20260821T1302361922970000/233991 | skos_definition | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-9216-0050c2490048/v8 | ef:flow/08a91e70-3ddc-11dd-9216-0050c2490048/v9 |
| ef:activity/change/20260821T1302361922970000/233992 | references | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-9216-0050c2490048/v9 | ef:flow/08a91e70-3ddc-11dd-9216-0050c2490048/v10 |
| ef:activity/change/20260821T1302361922970000/250280 | properties | ef:agent/rdkit_pre_consensus | ef:flow/08a91e70-3ddc-11dd-9216-0050c2490048/v10 | ef:flow/08a91e70-3ddc-11dd-9216-0050c2490048/v11 |
| ef:activity/change/20260821T1302361922970000/255276 | altLabel | ef:agent/chebi_altlabels | ef:flow/08a91e70-3ddc-11dd-9216-0050c2490048/v11 | ef:flow/08a91e70-3ddc-11dd-9216-0050c2490048/v12 |
| ef:activity/change/20260821T1302361922970000/272288 | altLabel | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-9216-0050c2490048/v12 | ef:flow/08a91e70-3ddc-11dd-9216-0050c2490048/v13 |
| ef:activity/change/20260821T1302361922970000/272289 | cas_match_labels | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-9216-0050c2490048/v13 | ef:flow/08a91e70-3ddc-11dd-9216-0050c2490048/v14 |
| ef:activity/change/20260821T1302361922970000/275427 | properties | ef:agent/opsin_iupac | ef:flow/08a91e70-3ddc-11dd-9216-0050c2490048/v14 | ef:flow/08a91e70-3ddc-11dd-9216-0050c2490048/v15 |
| ef:activity/change/20260821T1302361922970000/281943 | properties | ef:agent/rdkit_post_consensus | ef:flow/08a91e70-3ddc-11dd-9216-0050c2490048/v15 | ef:flow/08a91e70-3ddc-11dd-9216-0050c2490048/v16 |
| ef:activity/change/20260821T1302361922970000/288707 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/08a91e70-3ddc-11dd-9216-0050c2490048/v16 | ef:flow/08a91e70-3ddc-11dd-9216-0050c2490048/v17 |
| ef:activity/change/20260821T1302361922970000/297581 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/08a91e70-3ddc-11dd-9216-0050c2490048/v17 | ef:flow/08a91e70-3ddc-11dd-9216-0050c2490048/v18 |
| ef:activity/change/20260821T1302361922970000/389736 | properties | ef:agent/normalise_property_values | ef:flow/08a91e70-3ddc-11dd-9216-0050c2490048/v18 | ef:flow/08a91e70-3ddc-11dd-9216-0050c2490048/v19 |
| ef:activity/change/20260821T1302361922970000/397016 | types | ef:agent/link_flows_to_their_substance | ef:flow/08a91e70-3ddc-11dd-9216-0050c2490048/v19 | ef:flow/08a91e70-3ddc-11dd-9216-0050c2490048/v20 |