Metronidazole
Everything that changed this flow. Back to the flow
08a91e70-3ddc-11dd-93bd-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 4 catalogue altLabel value(s): 'Bayer 5360' (trade name), 'NSC 50364' (registry code), 'NSC 69587' (registry code), 'RP 8823' (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=metronidazole||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'443-48-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6fb03113f50a3a1e: {'443-48-1': '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 water > Emissions to fresh water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['443-48-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_6909']; candidate_pubchem_cids=[4173, 69715]; selected_pubchem_cids=[4173]; 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 |
|---|---|---|---|---|---|
| 6,855 | bootstrap_labels | prefLabel | — | [{"@value":"metronidazole","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | Bootstrapped prefLabel from legacy name field |
| 6,856 | bootstrap_labels | name | metronidazole | — | Purged legacy name field to enforce prefLabel usage |
| 6,857 | bootstrap_labels | synonyms | ["1-(.beta.-Ethylol)-2-methyl-5-nitro-3-azapyrrole","1-(.beta.-Hydroxyethyl)-2-methyl-5-nitroimidazole","1-(2-Hydroxy-1… | [] | Removed legacy synonyms field in favor of structured labels |
| 33,906 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 33,907 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 215,627 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,668 | normalize_name_case | prefLabel | [{"@value":"metronidazole","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | [{"@value":"Metronidazole","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 233,758 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H9N3O3"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 233,759 | enrich_references | skos_definition | — | [{"@value":"A member of the class of imidazoles substituted at C-1, -2 and -5 with 2-hydroxyethyl, nitro and methyl gro… | Merged ChEBI/PubChem definitions into skos:definition |
| 233,760 | enrich_references | references | [] | [{"@id":"drugcentral:1790","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['443-48-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_6909']; candidate_pubchem_cids=[4173, 69715]; selected_pubchem_cids=[4173]; 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 |
| 250,213 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H9N3O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H9N3O3"]… | rdkit_pre_consensus from 'CC1=NC=C(N1CCO)[N+](=O)[O-]'; added: monoisotopic_mass |
| 255,229 | chebi_altlabels | altLabel | [] | [{"@value":"1-(2-hydroxy-1-ethyl)-2-methyl-5-nitroimidazole","@language":"en","source":{"prov:wasGeneratedBy":"chebi_al… | Added 11 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 269,008 | consensus_match | altLabel | [{"@value":"1-(2-hydroxy-1-ethyl)-2-methyl-5-nitroimidazole","@language":"en","source":{"prov:wasGeneratedBy":"chebi_al… | [{"@value":"1-(2-hydroxy-1-ethyl)-2-methyl-5-nitroimidazole","@language":"en","source":{"prov:wasGeneratedBy":"chebi_al… | group_key=metronidazole||dimension=Environmental > media=Water > water_body=Long-term; cas=443-48-1; added Common Chemistry CAS names as altLabel: 1-(β-Hydroxyethyl)-2-methyl-5-nitroimidazole, 1-Hydroxyethyl-2-methyl-5-nitroimidazole, 1<em>H</em>-Imidazole-1-ethanol, 2-methyl-5-nitro-, 2-(2-Methyl-5-nitro-1<em>H</em>-imidazol-1-yl)ethan-1-ol, 2-Methyl-5-nitro-1<em>H</em>-imidazole-1-ethanol, Amrizole, Anagiardil, Arilin, Bayer 5360, Cimetrol 500LPCI, Clont, Compeba, Deflamon, Dentamet gel, Efloran, Elyzol, Emgyl, Emtrin, Entizol, Flagesol, Flagil, Flagyl, Flazol, Fossyol, Gineflavir, Imidazole-1-ethanol, 2-methyl-5-nitro-, Klion, Klont, Loxagyl, MeSH ID: D008795, Medazol, Metro, Metro Cream & Gel, MetroGel, Metrodine, Metrodol, Metrogyl, Metrolag, Metrolyl, Metron, Metropol, Metrotab, Metrotop, Mexibol, NSC 50364, NSC 69587, Nidazole, Noritate, Orvagil, Polibiotic, Protostat, RP 8823, Rathimed, Rosiced, Sanatrichom, Satric, Supplin, Takimetol, Trichazol, Tricho Cordes, Tricho-Gynaedron, Trichobrol, Trichocide, Trichomol, Trichopal, Trichopol, Trichopole, Trichozole, Tricocet, Trikhopol, Trivazol, Tromet, Vagilen, Vagimid, Zadstat, metrovagin; object_uuid=fo-6fb03113f50a3a1e |
| 269,009 | consensus_match | cas_match_labels | — | {"443-48-1":"exactMatch"} | group_key=metronidazole||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'443-48-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6fb03113f50a3a1e: {'443-48-1': 'exactMatch'} |
| 275,355 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H9N3O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H9N3O3"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1-(2-hydroxy-1-ethyl)-2-methyl-5-nitroimidazole' |
| 281,865 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H9N3O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H9N3O3"]… | rdkit_post_consensus from 'Cc1ncc([N+](=O)[O-])n1CCO'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,655 | strip_catalogue_altlabels | altLabel | [{"@value":"1-(2-hydroxy-1-ethyl)-2-methyl-5-nitroimidazole","@language":"en","source":{"prov:wasGeneratedBy":"chebi_al… | [{"@value":"1-(2-hydroxy-1-ethyl)-2-methyl-5-nitroimidazole","@language":"en","source":{"prov:wasGeneratedBy":"chebi_al… | Removed 4 catalogue altLabel value(s): 'Bayer 5360' (trade name), 'NSC 50364' (registry code), 'NSC 69587' (registry code), 'RP 8823' (grade code) |
| 297,987 | 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 |
| 389,658 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H9N3O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H9N3O3"]… | typed the way the ontology types it |
| 396,902 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 396,903 | 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/20260822T0600486828500000/6855 | prefLabel | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-93bd-0050c2490048/v0 | ef:flow/08a91e70-3ddc-11dd-93bd-0050c2490048/v1 |
| ef:activity/change/20260822T0600486828500000/6856 | name | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-93bd-0050c2490048/v1 | ef:flow/08a91e70-3ddc-11dd-93bd-0050c2490048/v2 |
| ef:activity/change/20260822T0600486828500000/6857 | synonyms | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-93bd-0050c2490048/v2 | ef:flow/08a91e70-3ddc-11dd-93bd-0050c2490048/v3 |
| ef:activity/change/20260822T0600486828500000/33906 | context | ef:agent/default_context_mapping | ef:flow/08a91e70-3ddc-11dd-93bd-0050c2490048/v3 | ef:flow/08a91e70-3ddc-11dd-93bd-0050c2490048/v4 |
| ef:activity/change/20260822T0600486828500000/33907 | context_iri | ef:agent/default_context_mapping | ef:flow/08a91e70-3ddc-11dd-93bd-0050c2490048/v4 | ef:flow/08a91e70-3ddc-11dd-93bd-0050c2490048/v5 |
| ef:activity/change/20260822T0600486828500000/215627 | unit_iri | ef:agent/unit_normalization | ef:flow/08a91e70-3ddc-11dd-93bd-0050c2490048/v5 | ef:flow/08a91e70-3ddc-11dd-93bd-0050c2490048/v6 |
| ef:activity/change/20260822T0600486828500000/222668 | prefLabel | ef:agent/normalize_name_case | ef:flow/08a91e70-3ddc-11dd-93bd-0050c2490048/v6 | ef:flow/08a91e70-3ddc-11dd-93bd-0050c2490048/v7 |
| ef:activity/change/20260822T0600486828500000/233758 | properties | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-93bd-0050c2490048/v7 | ef:flow/08a91e70-3ddc-11dd-93bd-0050c2490048/v8 |
| ef:activity/change/20260822T0600486828500000/233759 | skos_definition | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-93bd-0050c2490048/v8 | ef:flow/08a91e70-3ddc-11dd-93bd-0050c2490048/v9 |
| ef:activity/change/20260822T0600486828500000/233760 | references | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-93bd-0050c2490048/v9 | ef:flow/08a91e70-3ddc-11dd-93bd-0050c2490048/v10 |
| ef:activity/change/20260822T0600486828500000/250213 | properties | ef:agent/rdkit_pre_consensus | ef:flow/08a91e70-3ddc-11dd-93bd-0050c2490048/v10 | ef:flow/08a91e70-3ddc-11dd-93bd-0050c2490048/v11 |
| ef:activity/change/20260822T0600486828500000/255229 | altLabel | ef:agent/chebi_altlabels | ef:flow/08a91e70-3ddc-11dd-93bd-0050c2490048/v11 | ef:flow/08a91e70-3ddc-11dd-93bd-0050c2490048/v12 |
| ef:activity/change/20260822T0600486828500000/269008 | altLabel | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-93bd-0050c2490048/v12 | ef:flow/08a91e70-3ddc-11dd-93bd-0050c2490048/v13 |
| ef:activity/change/20260822T0600486828500000/269009 | cas_match_labels | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-93bd-0050c2490048/v13 | ef:flow/08a91e70-3ddc-11dd-93bd-0050c2490048/v14 |
| ef:activity/change/20260822T0600486828500000/275355 | properties | ef:agent/opsin_iupac | ef:flow/08a91e70-3ddc-11dd-93bd-0050c2490048/v14 | ef:flow/08a91e70-3ddc-11dd-93bd-0050c2490048/v15 |
| ef:activity/change/20260822T0600486828500000/281865 | properties | ef:agent/rdkit_post_consensus | ef:flow/08a91e70-3ddc-11dd-93bd-0050c2490048/v15 | ef:flow/08a91e70-3ddc-11dd-93bd-0050c2490048/v16 |
| ef:activity/change/20260822T0600486828500000/288655 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/08a91e70-3ddc-11dd-93bd-0050c2490048/v16 | ef:flow/08a91e70-3ddc-11dd-93bd-0050c2490048/v17 |
| ef:activity/change/20260822T0600486828500000/297987 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/08a91e70-3ddc-11dd-93bd-0050c2490048/v17 | ef:flow/08a91e70-3ddc-11dd-93bd-0050c2490048/v18 |
| ef:activity/change/20260822T0600486828500000/389658 | properties | ef:agent/normalise_property_values | ef:flow/08a91e70-3ddc-11dd-93bd-0050c2490048/v18 | ef:flow/08a91e70-3ddc-11dd-93bd-0050c2490048/v19 |
| ef:activity/change/20260822T0600486828500000/396902 | types | ef:agent/link_flows_to_their_substance | ef:flow/08a91e70-3ddc-11dd-93bd-0050c2490048/v19 | ef:flow/08a91e70-3ddc-11dd-93bd-0050c2490048/v20 |
| ef:activity/change/20260822T0600486828500000/396903 | roles | ef:agent/link_flows_to_their_substance | ef:flow/08a91e70-3ddc-11dd-93bd-0050c2490048/v20 | ef:flow/08a91e70-3ddc-11dd-93bd-0050c2490048/v21 |