Celiprolol
Everything that changed this flow. Back to the flow
c4369943-e046-41b8-bb79-dda6a192926f
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, 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=celiprolol||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'56980-93-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e55135e67df0bbe1: {'56980-93-9': '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 water > Emissions to water, unspecified (long-term) |
| 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 (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['56980-93-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_94461']; candidate_pubchem_cids=[2663, 42373]; selected_pubchem_cids=[2663]; 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 |
|---|---|---|---|---|---|
| 805 | bootstrap_labels | prefLabel | — | [{"@value":"celiprolol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"con… | Bootstrapped prefLabel from legacy name field |
| 806 | bootstrap_labels | name | celiprolol | — | Purged legacy name field to enforce prefLabel usage |
| 807 | bootstrap_labels | synonyms | ["organic","celiprolol"] | [] | Removed legacy synonyms field in favor of structured labels |
| 166,006 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 166,007 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 213,603 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,278 | normalize_name_case | prefLabel | [{"@value":"celiprolol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"con… | [{"@value":"Celiprolol","@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) |
| 227,941 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H33N3O4… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 227,942 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 227,943 | enrich_references | references | [] | [{"@id":"drugcentral:569","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"c… | Added references with provenance; cas_numbers=['56980-93-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_94461']; candidate_pubchem_cids=[2663, 42373]; selected_pubchem_cids=[2663]; 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 |
| 248,532 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H33N3O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H33N3O4… | rdkit_pre_consensus from 'CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C'; added: monoisotopic_mass |
| 254,480 | chebi_altlabels | altLabel | [] | [{"@value":"DL-Celiprolol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | Added 5 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 264,929 | consensus_match | altLabel | [{"@value":"DL-Celiprolol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | [{"@value":"DL-Celiprolol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | group_key=celiprolol||dimension=Environmental > media=Air > indoor=Unknown; cas=56980-93-9; added Common Chemistry CAS names as altLabel: (<em>R</em>,<em>S</em>)-Celiprolol, (±)-Celiprolol, 1-[3-Acetyl-4-[3-(<em>tert</em>-butylamino)-2-hydroxypropoxy]phenyl]-3,3-diethylurea, <em>N</em>′-[3-Acetyl-4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]phenyl]-<em>N</em>,<em>N</em>-diethylurea, MeSH ID: D017272, Racemic Celiprolol, Urea, <em>N</em>′-[3-acetyl-4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]phenyl]-<em>N</em>,<em>N</em>-diethyl-; object_uuid=fo-e55135e67df0bbe1 |
| 264,930 | consensus_match | cas_match_labels | — | {"56980-93-9":"exactMatch"} | group_key=celiprolol||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'56980-93-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e55135e67df0bbe1: {'56980-93-9': 'exactMatch'} |
| 273,657 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H33N3O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H33N3O4… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1-[3-Acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3,3-diethylurea' |
| 280,027 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H33N3O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H33N3O4… | rdkit_post_consensus from 'CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,991 | dedupe_altlabels | altLabel | [{"@value":"DL-Celiprolol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | [{"@value":"DL-Celiprolol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | Deduplicated altLabel values and removed entries matching prefLabel |
| 364,029 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/c4369943-e046-… | associations resolved on the elementary layer |
| 387,935 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H33N3O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H33N3O4… | typed the way the ontology types it |
| 394,486 | 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/20260822T0600486828500000/805 | prefLabel | ef:agent/bootstrap_labels | ef:flow/c4369943-e046-41b8-bb79-dda6a192926f/v0 | ef:flow/c4369943-e046-41b8-bb79-dda6a192926f/v1 |
| ef:activity/change/20260822T0600486828500000/806 | name | ef:agent/bootstrap_labels | ef:flow/c4369943-e046-41b8-bb79-dda6a192926f/v1 | ef:flow/c4369943-e046-41b8-bb79-dda6a192926f/v2 |
| ef:activity/change/20260822T0600486828500000/807 | synonyms | ef:agent/bootstrap_labels | ef:flow/c4369943-e046-41b8-bb79-dda6a192926f/v2 | ef:flow/c4369943-e046-41b8-bb79-dda6a192926f/v3 |
| ef:activity/change/20260822T0600486828500000/166006 | context | ef:agent/default_context_mapping | ef:flow/c4369943-e046-41b8-bb79-dda6a192926f/v3 | ef:flow/c4369943-e046-41b8-bb79-dda6a192926f/v4 |
| ef:activity/change/20260822T0600486828500000/166007 | context_iri | ef:agent/default_context_mapping | ef:flow/c4369943-e046-41b8-bb79-dda6a192926f/v4 | ef:flow/c4369943-e046-41b8-bb79-dda6a192926f/v5 |
| ef:activity/change/20260822T0600486828500000/213603 | unit_iri | ef:agent/unit_normalization | ef:flow/c4369943-e046-41b8-bb79-dda6a192926f/v5 | ef:flow/c4369943-e046-41b8-bb79-dda6a192926f/v6 |
| ef:activity/change/20260822T0600486828500000/221278 | prefLabel | ef:agent/normalize_name_case | ef:flow/c4369943-e046-41b8-bb79-dda6a192926f/v6 | ef:flow/c4369943-e046-41b8-bb79-dda6a192926f/v7 |
| ef:activity/change/20260822T0600486828500000/227941 | properties | ef:agent/enrich_references | ef:flow/c4369943-e046-41b8-bb79-dda6a192926f/v7 | ef:flow/c4369943-e046-41b8-bb79-dda6a192926f/v8 |
| ef:activity/change/20260822T0600486828500000/227942 | skos_definition | ef:agent/enrich_references | ef:flow/c4369943-e046-41b8-bb79-dda6a192926f/v8 | ef:flow/c4369943-e046-41b8-bb79-dda6a192926f/v9 |
| ef:activity/change/20260822T0600486828500000/227943 | references | ef:agent/enrich_references | ef:flow/c4369943-e046-41b8-bb79-dda6a192926f/v9 | ef:flow/c4369943-e046-41b8-bb79-dda6a192926f/v10 |
| ef:activity/change/20260822T0600486828500000/248532 | properties | ef:agent/rdkit_pre_consensus | ef:flow/c4369943-e046-41b8-bb79-dda6a192926f/v10 | ef:flow/c4369943-e046-41b8-bb79-dda6a192926f/v11 |
| ef:activity/change/20260822T0600486828500000/254480 | altLabel | ef:agent/chebi_altlabels | ef:flow/c4369943-e046-41b8-bb79-dda6a192926f/v11 | ef:flow/c4369943-e046-41b8-bb79-dda6a192926f/v12 |
| ef:activity/change/20260822T0600486828500000/264929 | altLabel | ef:agent/consensus_match | ef:flow/c4369943-e046-41b8-bb79-dda6a192926f/v12 | ef:flow/c4369943-e046-41b8-bb79-dda6a192926f/v13 |
| ef:activity/change/20260822T0600486828500000/264930 | cas_match_labels | ef:agent/consensus_match | ef:flow/c4369943-e046-41b8-bb79-dda6a192926f/v13 | ef:flow/c4369943-e046-41b8-bb79-dda6a192926f/v14 |
| ef:activity/change/20260822T0600486828500000/273657 | properties | ef:agent/opsin_iupac | ef:flow/c4369943-e046-41b8-bb79-dda6a192926f/v14 | ef:flow/c4369943-e046-41b8-bb79-dda6a192926f/v15 |
| ef:activity/change/20260822T0600486828500000/280027 | properties | ef:agent/rdkit_post_consensus | ef:flow/c4369943-e046-41b8-bb79-dda6a192926f/v15 | ef:flow/c4369943-e046-41b8-bb79-dda6a192926f/v16 |
| ef:activity/change/20260822T0600486828500000/291991 | altLabel | ef:agent/dedupe_altlabels | ef:flow/c4369943-e046-41b8-bb79-dda6a192926f/v16 | ef:flow/c4369943-e046-41b8-bb79-dda6a192926f/v17 |
| ef:activity/change/20260822T0600486828500000/364029 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/c4369943-e046-41b8-bb79-dda6a192926f/v17 | ef:flow/c4369943-e046-41b8-bb79-dda6a192926f/v18 |
| ef:activity/change/20260822T0600486828500000/387935 | properties | ef:agent/normalise_property_values | ef:flow/c4369943-e046-41b8-bb79-dda6a192926f/v18 | ef:flow/c4369943-e046-41b8-bb79-dda6a192926f/v19 |
| ef:activity/change/20260822T0600486828500000/394486 | types | ef:agent/link_flows_to_their_substance | ef:flow/c4369943-e046-41b8-bb79-dda6a192926f/v19 | ef:flow/c4369943-e046-41b8-bb79-dda6a192926f/v20 |