Ibuprofen
Everything that changed this flow. Back to the flow
01b19d4e-cb7d-4413-9daf-f21397847317
By field
14 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus | typed the way the ontology types it |
| altLabel | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 13 catalogue altLabel value(s): 'Act 3' (grade code), 'Adex 200' (grade code), 'Artril 300' (trade name), 'Atril 300' (trade name), 'BC 1054' (grade code), 'Brufen 400' (trade name), 'Emflam 200' (trade name), 'IB 100' (grade code), 'IP 82' (grade code), 'NSC 256857' (registry code), 'RD 13621' (grade code), 'Tabalon 400' (trade name), 'U 18753' (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=ibuprofen||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'15687-27-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6d363d0bdaf194d3: {'15687-27-1': '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 lower stratosphere and upper troposphere |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['15687-27-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_5855']; candidate_pubchem_cids=[3672, 114864, 5338317, 6926382, 77134427]; selected_pubchem_cids=[3672]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 1,415 | bootstrap_labels | prefLabel | — | [{"@value":"ibuprofen","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"brig… | Bootstrapped prefLabel from legacy name field |
| 1,416 | bootstrap_labels | name | ibuprofen | — | Purged legacy name field to enforce prefLabel usage |
| 1,417 | bootstrap_labels | synonyms | ["ibuprofen","2-(4-isobutyl-phenyl)-propionic acid","benzeneacetic acid, ?-methyl-4-(2-methylpropyl)-","2-[4-(2-methylp… | [] | Removed legacy synonyms field in favor of structured labels |
| 26,881 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 26,882 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 213,810 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,417 | normalize_name_case | prefLabel | [{"@value":"ibuprofen","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"brig… | [{"@value":"Ibuprofen","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"brig… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 228,542 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H18O2"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 228,543 | enrich_references | skos_definition | — | [{"@value":"A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by… | Merged ChEBI/PubChem definitions into skos:definition |
| 228,544 | enrich_references | references | [] | [{"@id":"drugcentral:1407","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['15687-27-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_5855']; candidate_pubchem_cids=[3672, 114864, 5338317, 6926382, 77134427]; selected_pubchem_cids=[3672]; 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 |
| 254,549 | chebi_altlabels | altLabel | [] | [{"@value":"(+-)-2-(p-isobutylphenyl)propionic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels"… | Added 54 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 267,912 | consensus_match | altLabel | [{"@value":"(+-)-2-(p-isobutylphenyl)propionic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels"… | [{"@value":"(+-)-2-(p-isobutylphenyl)propionic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels"… | group_key=ibuprofen||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=15687-27-1; added Common Chemistry CAS names as altLabel: (4-Isobutylphenyl)-α-methylacetic acid, (±)-2-(<em>p</em>-Isobutylphenyl)propionic acid, (±)-Ibuprofen, (±)-Ibuprophen, (±)-α-Methyl-4-(2-methylpropyl)benzeneacetic acid, 2-(4′-Isobutylphenyl)propionic acid, 2-(<em>p</em>-Isobutylphenyl)propionic acid, 4-Isobutyl-α-methylphenylacetic acid, <em>dl</em>-Ibuprofen, <em>p</em>-Isobutyl-2-phenylpropionic acid, <em>p</em>-Isobutylhydratropic acid, Act 3, Actiprofen, Actron Ibuprofen, Adex 200, Alaxan, Algi-Flanderil, Algiflex, Algofen, Am-Fam 400, Anafen, Andran, Antarene, Antiflam, Apo-Ibuprofen, Artofen, Artril, Artril 300, Atril 300, BC 1054, Balkaprofen, Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-, Betaprofen, Bloom, Bonifen, Boosten, Brofen, Brufanic, Brufen 400, Brufen Retard, Bruflam, Brustan-N, Buluofen, Buprol, Burana, Butacortelone, Caldolor, Carol, Cetafen Plus, Cobo, Codral Period Pain, Dansida, Deep relief, Dentigoa, Dibufen, Diverin, Dolmaral, Dolocyl, Dolofen, Dolofen F, Dolomax, Donjust B, Doretrim, Dorival, Drin, Easifon, Emflam, Emflam 200, Espen, Fenbid, Fenspan, Flarin, Focus, Genafen, Gofen, Gynofug, Hydratropic acid, <em>p</em>-isobutyl-, IB 100, IP 82, Ibosure, Ibren, Ibu-Tab, Ibu-slow, IbuHexal, Ibubel, Ibuberofen, Ibudex, Ibufen, Ibuflam, Ibuflamar, Ibuflamol, Ibufug, Ibugen, Ibugesic, Ibuleve, Ibulgan, Ibupirac, Ibupril, Ibuprofen Belupo, Ibuprohm, Ibusal, Ibutad, Ifen, Inflam, Inza, Ipren, Iprogel, Irfen, Isodol, Juilifen, Librofem, Lidifen, Lopane, MeSH ID: D007052, Medprofen, Mensoton, Moment, MomentAct, Motrin IB, Multifen, NSC 256857, Nagifen-D, Napacetin, Nobafon, Nobfelon, Noritis, Norton, Novogent, Novoprofen, Nureflex, Omafen, Optifen, Opturem, Ostarin, Ostofen, Paduden, Panafen, Pantrop, Paucofen, Paxofen, Pedea, Pedifen, Perofen, Proartinal, Profen, Proflex, Prontalgin, Proris, Provil, Provon, Quadrax, RD 13621, Rafen, Ranofen, Recidol, Relcofen, Rufin, Rupan, Spedifen Zambon, Stelar, Stelar (pharmaceutical), Syntofene, Tabalon 400, Tarein, Tatanal, Tofen, U 18753, Unipron, Upfen, Uprofen, Zafen, Zofen, α-(4-Isobutylphenyl)propionic acid, α-Methyl-4-(2-methylpropyl)benzeneacetic acid; object_uuid=fo-6d363d0bdaf194d3 |
| 267,913 | consensus_match | cas_match_labels | — | {"15687-27-1":"exactMatch"} | group_key=ibuprofen||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'15687-27-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6d363d0bdaf194d3: {'15687-27-1': 'exactMatch'} |
| 273,839 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H18O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H18O2"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Ibuprofen' |
| 280,226 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H18O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H18O2"]… | rdkit_post_consensus from 'CC(C)Cc1ccc(C(C)C(=O)O)cc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,555 | strip_catalogue_altlabels | altLabel | [{"@value":"(+-)-2-(p-isobutylphenyl)propionic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels"… | [{"@value":"(+-)-2-(p-isobutylphenyl)propionic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels"… | Removed 13 catalogue altLabel value(s): 'Act 3' (grade code), 'Adex 200' (grade code), 'Artril 300' (trade name), 'Atril 300' (trade name), 'BC 1054' (grade code), 'Brufen 400' (trade name), 'Emflam 200' (trade name), 'IB 100' (grade code), 'IP 82' (grade code), 'NSC 256857' (registry code), 'RD 13621' (grade code), 'Tabalon 400' (trade name), 'U 18753' (grade code) |
| 294,525 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/01b19d4e-cb7d-… | associations resolved on the elementary layer |
| 388,149 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H18O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H18O2"]… | typed the way the ontology types it |
| 394,753 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 394,754 | 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
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/20261019T0712047113160000/1415 | prefLabel | ef:agent/bootstrap_labels | ef:flow/01b19d4e-cb7d-4413-9daf-f21397847317/v0 | ef:flow/01b19d4e-cb7d-4413-9daf-f21397847317/v1 |
| ef:activity/change/20261019T0712047113160000/1416 | name | ef:agent/bootstrap_labels | ef:flow/01b19d4e-cb7d-4413-9daf-f21397847317/v1 | ef:flow/01b19d4e-cb7d-4413-9daf-f21397847317/v2 |
| ef:activity/change/20261019T0712047113160000/1417 | synonyms | ef:agent/bootstrap_labels | ef:flow/01b19d4e-cb7d-4413-9daf-f21397847317/v2 | ef:flow/01b19d4e-cb7d-4413-9daf-f21397847317/v3 |
| ef:activity/change/20261019T0712047113160000/26881 | context | ef:agent/default_context_mapping | ef:flow/01b19d4e-cb7d-4413-9daf-f21397847317/v3 | ef:flow/01b19d4e-cb7d-4413-9daf-f21397847317/v4 |
| ef:activity/change/20261019T0712047113160000/26882 | context_iri | ef:agent/default_context_mapping | ef:flow/01b19d4e-cb7d-4413-9daf-f21397847317/v4 | ef:flow/01b19d4e-cb7d-4413-9daf-f21397847317/v5 |
| ef:activity/change/20261019T0712047113160000/213810 | unit_iri | ef:agent/unit_normalization | ef:flow/01b19d4e-cb7d-4413-9daf-f21397847317/v5 | ef:flow/01b19d4e-cb7d-4413-9daf-f21397847317/v6 |
| ef:activity/change/20261019T0712047113160000/221417 | prefLabel | ef:agent/normalize_name_case | ef:flow/01b19d4e-cb7d-4413-9daf-f21397847317/v6 | ef:flow/01b19d4e-cb7d-4413-9daf-f21397847317/v7 |
| ef:activity/change/20261019T0712047113160000/228542 | properties | ef:agent/enrich_references | ef:flow/01b19d4e-cb7d-4413-9daf-f21397847317/v7 | ef:flow/01b19d4e-cb7d-4413-9daf-f21397847317/v8 |
| ef:activity/change/20261019T0712047113160000/228543 | skos_definition | ef:agent/enrich_references | ef:flow/01b19d4e-cb7d-4413-9daf-f21397847317/v8 | ef:flow/01b19d4e-cb7d-4413-9daf-f21397847317/v9 |
| ef:activity/change/20261019T0712047113160000/228544 | references | ef:agent/enrich_references | ef:flow/01b19d4e-cb7d-4413-9daf-f21397847317/v9 | ef:flow/01b19d4e-cb7d-4413-9daf-f21397847317/v10 |
| ef:activity/change/20261019T0712047113160000/254549 | altLabel | ef:agent/chebi_altlabels | ef:flow/01b19d4e-cb7d-4413-9daf-f21397847317/v10 | ef:flow/01b19d4e-cb7d-4413-9daf-f21397847317/v11 |
| ef:activity/change/20261019T0712047113160000/267912 | altLabel | ef:agent/consensus_match | ef:flow/01b19d4e-cb7d-4413-9daf-f21397847317/v11 | ef:flow/01b19d4e-cb7d-4413-9daf-f21397847317/v12 |
| ef:activity/change/20261019T0712047113160000/267913 | cas_match_labels | ef:agent/consensus_match | ef:flow/01b19d4e-cb7d-4413-9daf-f21397847317/v12 | ef:flow/01b19d4e-cb7d-4413-9daf-f21397847317/v13 |
| ef:activity/change/20261019T0712047113160000/273839 | properties | ef:agent/opsin_iupac | ef:flow/01b19d4e-cb7d-4413-9daf-f21397847317/v13 | ef:flow/01b19d4e-cb7d-4413-9daf-f21397847317/v14 |
| ef:activity/change/20261019T0712047113160000/280226 | properties | ef:agent/rdkit_post_consensus | ef:flow/01b19d4e-cb7d-4413-9daf-f21397847317/v14 | ef:flow/01b19d4e-cb7d-4413-9daf-f21397847317/v15 |
| ef:activity/change/20261019T0712047113160000/287555 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/01b19d4e-cb7d-4413-9daf-f21397847317/v15 | ef:flow/01b19d4e-cb7d-4413-9daf-f21397847317/v16 |
| ef:activity/change/20261019T0712047113160000/294525 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/01b19d4e-cb7d-4413-9daf-f21397847317/v16 | ef:flow/01b19d4e-cb7d-4413-9daf-f21397847317/v17 |
| ef:activity/change/20261019T0712047113160000/388149 | properties | ef:agent/normalise_property_values | ef:flow/01b19d4e-cb7d-4413-9daf-f21397847317/v17 | ef:flow/01b19d4e-cb7d-4413-9daf-f21397847317/v18 |
| ef:activity/change/20261019T0712047113160000/394753 | types | ef:agent/link_flows_to_their_substance | ef:flow/01b19d4e-cb7d-4413-9daf-f21397847317/v18 | ef:flow/01b19d4e-cb7d-4413-9daf-f21397847317/v19 |
| ef:activity/change/20261019T0712047113160000/394754 | roles | ef:agent/link_flows_to_their_substance | ef:flow/01b19d4e-cb7d-4413-9daf-f21397847317/v19 | ef:flow/01b19d4e-cb7d-4413-9daf-f21397847317/v20 |