Salbutamol
Everything that changed this flow. Back to the flow
4d9a8790-3ddd-11dd-973b-0050c2490048
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 1 catalogue altLabel value(s): 'AH 3365' (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=salbutamol||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'18559-94-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5b01e34a8194afb9: {'18559-94-9': '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 non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['18559-94-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_2549']; candidate_pubchem_cids=[2083, 6452399, 12953353, 121225251]; selected_pubchem_cids=[2083]; 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 |
| roles | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| 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 |
|---|---|---|---|---|---|
| 8,399 | bootstrap_labels | prefLabel | — | [{"@value":"salbutamol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"con… | Bootstrapped prefLabel from legacy name field |
| 8,400 | bootstrap_labels | name | salbutamol | — | Purged legacy name field to enforce prefLabel usage |
| 8,401 | bootstrap_labels | synonyms | ["(+-)-Albuterol","(+-)-Salbutamol","(+-)-alpha(sup 1)-(((1,1-Dimethylethyl)amino)methyl)-4-hydroxy-1,3-benzenedimethan… | [] | Removed legacy synonyms field in favor of structured labels |
| 92,704 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 92,705 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 216,135 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,078 | normalize_name_case | prefLabel | [{"@value":"salbutamol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"con… | [{"@value":"Salbutamol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"con… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 235,205 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H21NO3"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 235,206 | enrich_references | skos_definition | — | [{"@value":"A member of the class of phenylethanolamines that is 4-(2-amino-1-hydroxyethyl)-2-(hydroxymethyl)phenol hav… | Merged ChEBI/PubChem definitions into skos:definition |
| 235,207 | enrich_references | references | [] | [{"@id":"drugcentral:105","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"c… | Added references with provenance; cas_numbers=['18559-94-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_2549']; candidate_pubchem_cids=[2083, 6452399, 12953353, 121225251]; selected_pubchem_cids=[2083]; 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 |
| 250,620 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H21NO3"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H21NO3"… | rdkit_pre_consensus from 'CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O'; added: monoisotopic_mass |
| 255,554 | chebi_altlabels | altLabel | [] | [{"@value":"4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol","@language":"en","source":{"prov:wasGenerat… | Added 3 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 271,555 | consensus_match | altLabel | [{"@value":"4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol","@language":"en","source":{"prov:wasGenerat… | [{"@value":"4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol","@language":"en","source":{"prov:wasGenerat… | group_key=salbutamol||dimension=Environmental > media=Water > water_body=Long-term; cas=18559-94-9; added Common Chemistry CAS names as altLabel: (±)-Albuterol, (±)-Salbutamol, 1,3-Benzenedimethanol, α<sup>1</sup>-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy-, 1-(<em>tert</em>-Butylaminomethyl)-4-hydroxy-<em>m</em>-xylene-α<sup>1</sup>,α<sup>3</sup>-diol, 2-(<em>tert</em>-Butylamino)-1-[(4-hydroxy-3-hydroxymethyl)phenyl]ethanol, 4-Hydroxy-3-(hydroxymethyl)-α-[[(1,1-dimethylethyl)amino]methyl]benzenemethanol, <em>dl</em>-Albuterol, <em>dl</em>-Salbutamol, <em>m</em>-Xylene α,α′-diol, α-[(<em>tert</em>-butylamino)methyl]-4-hydroxy-, <em>m</em>-Xylene-α,α′-diol, α<sup>1</sup>-[(<em>tert</em>-butylamino)methyl]-4-hydroxy-, <span class="text-smallcaps">DL</span>-<em>N</em>-<em>tert</em>-Butyl-2(4-hydroxy-3-hydroxymethylphenyl)2-hydroxyethylamine, AH 3365, Airomir, Eolene, Etinoline, ProAir HFA, Proventil HFA, Proventil Inhaler, Sabumol, Salamol EB, Salbiar, Saventol, Spreor, Sultanol, Sultanol N, Ventalin Inhaler, Ventolin, Ventolin HFA, Ventoline, Volmax, α<sup>1</sup>-<em>tert</em>-Butylaminomethyl-4-hydroxy-<em>m</em>-xylene-α<sup>1</sup>,α<sup>3</sup>-diol, α<sup>1</sup>-[[(1,1-Dimethylethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol; object_uuid=fo-5b01e34a8194afb9 |
| 271,556 | consensus_match | cas_match_labels | — | {"18559-94-9":"exactMatch"} | group_key=salbutamol||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'18559-94-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5b01e34a8194afb9: {'18559-94-9': 'exactMatch'} |
| 275,790 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H21NO3"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H21NO3"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol' |
| 282,347 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H21NO3"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H21NO3"… | rdkit_post_consensus from 'CC(C)(C)NCC(O)c1ccc(O)c(CO)c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,983 | strip_catalogue_altlabels | altLabel | [{"@value":"4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol","@language":"en","source":{"prov:wasGenerat… | [{"@value":"4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol","@language":"en","source":{"prov:wasGenerat… | Removed 1 catalogue altLabel value(s): 'AH 3365' (grade code) |
| 327,358 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4d9a8790-3ddd-… | associations resolved on the elementary layer |
| 390,129 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H21NO3"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H21NO3"… | typed the way the ontology types it |
| 397,616 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 397,617 | link_flows_to_their_substance | roles | — | [{"@id":"http://purl.obolibrary.org/obo/CHEBI_78298","rdfs:label":"environmental contaminant","http://www.w3.org/2004/0… | 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/20260821T1554374006150000/8399 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-973b-0050c2490048/v0 | ef:flow/4d9a8790-3ddd-11dd-973b-0050c2490048/v1 |
| ef:activity/change/20260821T1554374006150000/8400 | name | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-973b-0050c2490048/v1 | ef:flow/4d9a8790-3ddd-11dd-973b-0050c2490048/v2 |
| ef:activity/change/20260821T1554374006150000/8401 | synonyms | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-973b-0050c2490048/v2 | ef:flow/4d9a8790-3ddd-11dd-973b-0050c2490048/v3 |
| ef:activity/change/20260821T1554374006150000/92704 | context | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-973b-0050c2490048/v3 | ef:flow/4d9a8790-3ddd-11dd-973b-0050c2490048/v4 |
| ef:activity/change/20260821T1554374006150000/92705 | context_iri | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-973b-0050c2490048/v4 | ef:flow/4d9a8790-3ddd-11dd-973b-0050c2490048/v5 |
| ef:activity/change/20260821T1554374006150000/216135 | unit_iri | ef:agent/unit_normalization | ef:flow/4d9a8790-3ddd-11dd-973b-0050c2490048/v5 | ef:flow/4d9a8790-3ddd-11dd-973b-0050c2490048/v6 |
| ef:activity/change/20260821T1554374006150000/223078 | prefLabel | ef:agent/normalize_name_case | ef:flow/4d9a8790-3ddd-11dd-973b-0050c2490048/v6 | ef:flow/4d9a8790-3ddd-11dd-973b-0050c2490048/v7 |
| ef:activity/change/20260821T1554374006150000/235205 | properties | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-973b-0050c2490048/v7 | ef:flow/4d9a8790-3ddd-11dd-973b-0050c2490048/v8 |
| ef:activity/change/20260821T1554374006150000/235206 | skos_definition | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-973b-0050c2490048/v8 | ef:flow/4d9a8790-3ddd-11dd-973b-0050c2490048/v9 |
| ef:activity/change/20260821T1554374006150000/235207 | references | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-973b-0050c2490048/v9 | ef:flow/4d9a8790-3ddd-11dd-973b-0050c2490048/v10 |
| ef:activity/change/20260821T1554374006150000/250620 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4d9a8790-3ddd-11dd-973b-0050c2490048/v10 | ef:flow/4d9a8790-3ddd-11dd-973b-0050c2490048/v11 |
| ef:activity/change/20260821T1554374006150000/255554 | altLabel | ef:agent/chebi_altlabels | ef:flow/4d9a8790-3ddd-11dd-973b-0050c2490048/v11 | ef:flow/4d9a8790-3ddd-11dd-973b-0050c2490048/v12 |
| ef:activity/change/20260821T1554374006150000/271555 | altLabel | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-973b-0050c2490048/v12 | ef:flow/4d9a8790-3ddd-11dd-973b-0050c2490048/v13 |
| ef:activity/change/20260821T1554374006150000/271556 | cas_match_labels | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-973b-0050c2490048/v13 | ef:flow/4d9a8790-3ddd-11dd-973b-0050c2490048/v14 |
| ef:activity/change/20260821T1554374006150000/275790 | properties | ef:agent/opsin_iupac | ef:flow/4d9a8790-3ddd-11dd-973b-0050c2490048/v14 | ef:flow/4d9a8790-3ddd-11dd-973b-0050c2490048/v15 |
| ef:activity/change/20260821T1554374006150000/282347 | properties | ef:agent/rdkit_post_consensus | ef:flow/4d9a8790-3ddd-11dd-973b-0050c2490048/v15 | ef:flow/4d9a8790-3ddd-11dd-973b-0050c2490048/v16 |
| ef:activity/change/20260821T1554374006150000/288983 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/4d9a8790-3ddd-11dd-973b-0050c2490048/v16 | ef:flow/4d9a8790-3ddd-11dd-973b-0050c2490048/v17 |
| ef:activity/change/20260821T1554374006150000/327358 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4d9a8790-3ddd-11dd-973b-0050c2490048/v17 | ef:flow/4d9a8790-3ddd-11dd-973b-0050c2490048/v18 |
| ef:activity/change/20260821T1554374006150000/390129 | properties | ef:agent/normalise_property_values | ef:flow/4d9a8790-3ddd-11dd-973b-0050c2490048/v18 | ef:flow/4d9a8790-3ddd-11dd-973b-0050c2490048/v19 |
| ef:activity/change/20260821T1554374006150000/397616 | types | ef:agent/link_flows_to_their_substance | ef:flow/4d9a8790-3ddd-11dd-973b-0050c2490048/v19 | ef:flow/4d9a8790-3ddd-11dd-973b-0050c2490048/v20 |
| ef:activity/change/20260821T1554374006150000/397617 | roles | ef:agent/link_flows_to_their_substance | ef:flow/4d9a8790-3ddd-11dd-973b-0050c2490048/v20 | ef:flow/4d9a8790-3ddd-11dd-973b-0050c2490048/v21 |