Celecoxib
Everything that changed this flow. Back to the flow
ae7b740b-eadd-457a-9ecb-6ca0778464d6
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, strip_catalogue_altlabels | Removed 2 catalogue altLabel value(s): 'SC 58635' (grade code), 'YM 177' (grade code) |
| prefLabel | 2 | bootstrap_labels, consensus_match | cas=169590-42-5; cc_chebi_agreed_name='Celecoxib'; object_uuid=fo-bd53dac9826e1791 |
| cas_match_labels | 1 | consensus_match | group_key=4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]benzene-1-sulfonamide||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'pubchem']; cas_sources={'169590-42-5': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bd53dac9826e1791: {'169590-42-5': '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=['169590-42-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_41423']; candidate_pubchem_cids=[2662, 3089]; selected_pubchem_cids=[2662]; 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
21| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 14,642 | bootstrap_labels | prefLabel | — | [{"@value":"4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]benzene-1-sulfonamide","@language":"en","source":… | Bootstrapped prefLabel from legacy name field |
| 14,643 | bootstrap_labels | name | 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]benzene-1-sulfonamide | — | Purged legacy name field to enforce prefLabel usage |
| 14,644 | bootstrap_labels | synonyms | ["organic"] | [] | Removed legacy synonyms field in favor of structured labels |
| 153,588 | 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 |
| 153,589 | 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 |
| 218,169 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 241,035 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H14F3N3… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 241,036 | enrich_references | skos_definition | — | [{"@value":"A member of the class of pyrazoles that is 1H-pyrazole which is substituted at positions 1, 3 and 5 by 4-su… | Merged ChEBI/PubChem definitions into skos:definition |
| 241,037 | enrich_references | references | [] | [{"@id":"drugcentral:568","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"c… | Added references with provenance; cas_numbers=['169590-42-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_41423']; candidate_pubchem_cids=[2662, 3089]; selected_pubchem_cids=[2662]; 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 |
| 252,305 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H14F3N3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H14F3N3… | rdkit_pre_consensus from 'CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F'; added: monoisotopic_mass |
| 256,338 | chebi_altlabels | altLabel | [] | [{"@value":"4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide","@language":"en","source":{"p… | Added 6 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 262,534 | consensus_match | prefLabel | [{"@value":"4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]benzene-1-sulfonamide","@language":"en","source":… | [{"@value":"Celecoxib","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"conse… | cas=169590-42-5; cc_chebi_agreed_name='Celecoxib'; object_uuid=fo-bd53dac9826e1791 |
| 262,535 | consensus_match | altLabel | [{"@value":"4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide","@language":"en","source":{"p… | [{"@value":"4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide","@language":"en","source":{"p… | cas=169590-42-5; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-bd53dac9826e1791 |
| 262,536 | consensus_match | altLabel | [{"@value":"4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide","@language":"en","source":{"p… | [{"@value":"4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide","@language":"en","source":{"p… | group_key=4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]benzene-1-sulfonamide||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=169590-42-5; added Common Chemistry CAS names as altLabel: 4-[5-(<em>p</em>-Tolyl)-3-(trifluoromethyl)-1<em>H</em>-pyrazol-1-yl]benzenesulfonamide, Benzenesulfonamide, 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1<em>H</em>-pyrazol-1-yl]-, Celebra, Celecox, Celocoxib, Eurocox, Medicoxib, Onsenal, SC 58635, Xilebao, YM 177; object_uuid=fo-bd53dac9826e1791 |
| 262,537 | consensus_match | cas_match_labels | — | {"169590-42-5":"exactMatch"} | group_key=4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]benzene-1-sulfonamide||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'pubchem']; cas_sources={'169590-42-5': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bd53dac9826e1791: {'169590-42-5': 'exactMatch'} |
| 277,500 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H14F3N3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H14F3N3… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide' |
| 284,190 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H14F3N3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H14F3N3… | rdkit_post_consensus from 'Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,259 | strip_catalogue_altlabels | altLabel | [{"@value":"4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide","@language":"en","source":{"p… | [{"@value":"4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide","@language":"en","source":{"p… | Removed 2 catalogue altLabel value(s): 'SC 58635' (grade code), 'YM 177' (grade code) |
| 357,817 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/ae7b740b-eadd-… | associations resolved on the elementary layer |
| 391,856 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H14F3N3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H14F3N3… | typed the way the ontology types it |
| 400,071 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260822T0600486828500000/14642 | prefLabel | ef:agent/bootstrap_labels | ef:flow/ae7b740b-eadd-457a-9ecb-6ca0778464d6/v0 | ef:flow/ae7b740b-eadd-457a-9ecb-6ca0778464d6/v1 |
| ef:activity/change/20260822T0600486828500000/14643 | name | ef:agent/bootstrap_labels | ef:flow/ae7b740b-eadd-457a-9ecb-6ca0778464d6/v1 | ef:flow/ae7b740b-eadd-457a-9ecb-6ca0778464d6/v2 |
| ef:activity/change/20260822T0600486828500000/14644 | synonyms | ef:agent/bootstrap_labels | ef:flow/ae7b740b-eadd-457a-9ecb-6ca0778464d6/v2 | ef:flow/ae7b740b-eadd-457a-9ecb-6ca0778464d6/v3 |
| ef:activity/change/20260822T0600486828500000/153588 | context | ef:agent/default_context_mapping | ef:flow/ae7b740b-eadd-457a-9ecb-6ca0778464d6/v3 | ef:flow/ae7b740b-eadd-457a-9ecb-6ca0778464d6/v4 |
| ef:activity/change/20260822T0600486828500000/153589 | context_iri | ef:agent/default_context_mapping | ef:flow/ae7b740b-eadd-457a-9ecb-6ca0778464d6/v4 | ef:flow/ae7b740b-eadd-457a-9ecb-6ca0778464d6/v5 |
| ef:activity/change/20260822T0600486828500000/218169 | unit_iri | ef:agent/unit_normalization | ef:flow/ae7b740b-eadd-457a-9ecb-6ca0778464d6/v5 | ef:flow/ae7b740b-eadd-457a-9ecb-6ca0778464d6/v6 |
| ef:activity/change/20260822T0600486828500000/241035 | properties | ef:agent/enrich_references | ef:flow/ae7b740b-eadd-457a-9ecb-6ca0778464d6/v6 | ef:flow/ae7b740b-eadd-457a-9ecb-6ca0778464d6/v7 |
| ef:activity/change/20260822T0600486828500000/241036 | skos_definition | ef:agent/enrich_references | ef:flow/ae7b740b-eadd-457a-9ecb-6ca0778464d6/v7 | ef:flow/ae7b740b-eadd-457a-9ecb-6ca0778464d6/v8 |
| ef:activity/change/20260822T0600486828500000/241037 | references | ef:agent/enrich_references | ef:flow/ae7b740b-eadd-457a-9ecb-6ca0778464d6/v8 | ef:flow/ae7b740b-eadd-457a-9ecb-6ca0778464d6/v9 |
| ef:activity/change/20260822T0600486828500000/252305 | properties | ef:agent/rdkit_pre_consensus | ef:flow/ae7b740b-eadd-457a-9ecb-6ca0778464d6/v9 | ef:flow/ae7b740b-eadd-457a-9ecb-6ca0778464d6/v10 |
| ef:activity/change/20260822T0600486828500000/256338 | altLabel | ef:agent/chebi_altlabels | ef:flow/ae7b740b-eadd-457a-9ecb-6ca0778464d6/v10 | ef:flow/ae7b740b-eadd-457a-9ecb-6ca0778464d6/v11 |
| ef:activity/change/20260822T0600486828500000/262534 | prefLabel | ef:agent/consensus_match | ef:flow/ae7b740b-eadd-457a-9ecb-6ca0778464d6/v11 | ef:flow/ae7b740b-eadd-457a-9ecb-6ca0778464d6/v12 |
| ef:activity/change/20260822T0600486828500000/262535 | altLabel | ef:agent/consensus_match | ef:flow/ae7b740b-eadd-457a-9ecb-6ca0778464d6/v12 | ef:flow/ae7b740b-eadd-457a-9ecb-6ca0778464d6/v13 |
| ef:activity/change/20260822T0600486828500000/262536 | altLabel | ef:agent/consensus_match | ef:flow/ae7b740b-eadd-457a-9ecb-6ca0778464d6/v13 | ef:flow/ae7b740b-eadd-457a-9ecb-6ca0778464d6/v14 |
| ef:activity/change/20260822T0600486828500000/262537 | cas_match_labels | ef:agent/consensus_match | ef:flow/ae7b740b-eadd-457a-9ecb-6ca0778464d6/v14 | ef:flow/ae7b740b-eadd-457a-9ecb-6ca0778464d6/v15 |
| ef:activity/change/20260822T0600486828500000/277500 | properties | ef:agent/opsin_iupac | ef:flow/ae7b740b-eadd-457a-9ecb-6ca0778464d6/v15 | ef:flow/ae7b740b-eadd-457a-9ecb-6ca0778464d6/v16 |
| ef:activity/change/20260822T0600486828500000/284190 | properties | ef:agent/rdkit_post_consensus | ef:flow/ae7b740b-eadd-457a-9ecb-6ca0778464d6/v16 | ef:flow/ae7b740b-eadd-457a-9ecb-6ca0778464d6/v17 |
| ef:activity/change/20260822T0600486828500000/290259 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/ae7b740b-eadd-457a-9ecb-6ca0778464d6/v17 | ef:flow/ae7b740b-eadd-457a-9ecb-6ca0778464d6/v18 |
| ef:activity/change/20260822T0600486828500000/357817 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/ae7b740b-eadd-457a-9ecb-6ca0778464d6/v18 | ef:flow/ae7b740b-eadd-457a-9ecb-6ca0778464d6/v19 |
| ef:activity/change/20260822T0600486828500000/391856 | properties | ef:agent/normalise_property_values | ef:flow/ae7b740b-eadd-457a-9ecb-6ca0778464d6/v19 | ef:flow/ae7b740b-eadd-457a-9ecb-6ca0778464d6/v20 |
| ef:activity/change/20260822T0600486828500000/400071 | types | ef:agent/link_flows_to_their_substance | ef:flow/ae7b740b-eadd-457a-9ecb-6ca0778464d6/v20 | ef:flow/ae7b740b-eadd-457a-9ecb-6ca0778464d6/v21 |