Methimazole
Everything that changed this flow. Back to the flow
4d9a8790-3ddd-11dd-937b-0050c2490048
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, strip_catalogue_altlabels | Removed 2 catalogue altLabel value(s): 'NSC 38608' (registry code), 'USAF el-30' (registry 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=methimazole||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'60-56-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-84f6805729bf8b87: {'60-56-0': '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 |
| 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 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['60-56-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_50673']; candidate_pubchem_cids=[20479, 1349907, 12983887]; selected_pubchem_cids=[1349907]; 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 |
|---|---|---|---|---|---|
| 22,591 | bootstrap_labels | prefLabel | — | [{"@value":"methimazole","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"co… | Bootstrapped prefLabel from legacy name field |
| 22,592 | bootstrap_labels | name | methimazole | — | Purged legacy name field to enforce prefLabel usage |
| 22,593 | bootstrap_labels | synonyms | ["1 Methyl 2 mercaptoimidazole","1,3-Dihydro-1-Methyl-2H-Imidazol-2-Thione","1,3-Dihydro-1-methyl-2H-imidazole-2-thione… | [] | Removed legacy synonyms field in favor of structured labels |
| 90,824 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 90,825 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 220,500 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 226,170 | normalize_name_case | prefLabel | [{"@value":"methimazole","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"co… | [{"@value":"Methimazole","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"co… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 247,519 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H6N2S"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 247,520 | enrich_references | skos_definition | — | [{"@value":"A member of the class of imidazoles that it imidazole-2-thione in which a methyl group replaces the hydroge… | Merged ChEBI/PubChem definitions into skos:definition |
| 247,521 | enrich_references | references | [] | [{"@id":"beilstein:108646","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['60-56-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_50673']; candidate_pubchem_cids=[20479, 1349907, 12983887]; selected_pubchem_cids=[1349907]; 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 |
| 254,183 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H6N2S"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H6N2S"],… | rdkit_pre_consensus from 'CN1C=CNC1=S'; added: monoisotopic_mass |
| 257,222 | chebi_altlabels | altLabel | [] | [{"@value":"1-METHYL-1,3-DIHYDRO-2H-IMIDAZOLE-2-THIONE","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabe… | Added 13 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 268,664 | consensus_match | altLabel | [{"@value":"1-METHYL-1,3-DIHYDRO-2H-IMIDAZOLE-2-THIONE","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabe… | [{"@value":"1-METHYL-1,3-DIHYDRO-2H-IMIDAZOLE-2-THIONE","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabe… | group_key=methimazole||dimension=Environmental > media=Ground > geography=Agricultural; cas=60-56-0; added Common Chemistry CAS names as altLabel: 1,3-Dihydro-1-methyl-2<em>H</em>-imidazole-2-thione, 1-Methyl-1,3-dihydroimidazole-2-thione, 1-Methyl-1<em>H</em>-imidazole-2-thiol, 1-Methyl-2,3-dihydro-1<em>H</em>-imidazole-2-thione, 1-Methyl-2-mercapto-1<em>H</em>-imidazole, 1-Methyl-2-mercaptoimidazole, 1-Methyl-4-imidazoline-2-thione, 1-Methylimidazole-2-thiol, 1-Methylimidazole-2-thione, 2-Mercapto-1-methyl-1<em>H</em>-imidazole, 2-Mercapto-1-methylimidazole, 2-Mercapto-<em>N</em>-methylimidazole, 2<em>H</em>-Imidazole-2-thione, 1,3-dihydro-1-methyl-, 3-Methyl-1<em>H</em>-imidazole-2-thione, 4-Imidazoline-2-thione, 1-methyl-, <em>N</em>-Methyl-2-mercaptoimidazole, <em>N</em>-Methylimidazolethiol, Basolan, Frentirox, Imidazole-2-thiol, 1-methyl-, MMI, MeSH ID: D008713, Mercaptazole, Mercazole, Mercazolyl, Metazolo, Methimazol, Methylmercaptoimidazole, Metizol, Metothyrin, Metothyrine, Metotirin, NSC 38608, Northyx, Thycapzol, Thymidazol, Thymidazole, Thyrozol; object_uuid=fo-84f6805729bf8b87 |
| 268,665 | consensus_match | cas_match_labels | — | {"60-56-0":"exactMatch"} | group_key=methimazole||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'60-56-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-84f6805729bf8b87: {'60-56-0': 'exactMatch'} |
| 279,398 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H6N2S"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H6N2S"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1-METHYL-1,3-DIHYDRO-2H-IMIDAZOLE-2-THIONE' |
| 286,274 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H6N2S"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H6N2S"],… | rdkit_post_consensus from 'Cn1cc[nH]c1=S'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,628 | strip_catalogue_altlabels | altLabel | [{"@value":"1-METHYL-1,3-DIHYDRO-2H-IMIDAZOLE-2-THIONE","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabe… | [{"@value":"1-METHYL-1,3-DIHYDRO-2H-IMIDAZOLE-2-THIONE","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabe… | Removed 2 catalogue altLabel value(s): 'NSC 38608' (registry code), 'USAF el-30' (registry code) |
| 326,418 | 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 |
| 393,791 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H6N2S"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H6N2S"],… | typed the way the ontology types it |
| 402,977 | 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/20260822T0600486828500000/22591 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-937b-0050c2490048/v0 | ef:flow/4d9a8790-3ddd-11dd-937b-0050c2490048/v1 |
| ef:activity/change/20260822T0600486828500000/22592 | name | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-937b-0050c2490048/v1 | ef:flow/4d9a8790-3ddd-11dd-937b-0050c2490048/v2 |
| ef:activity/change/20260822T0600486828500000/22593 | synonyms | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-937b-0050c2490048/v2 | ef:flow/4d9a8790-3ddd-11dd-937b-0050c2490048/v3 |
| ef:activity/change/20260822T0600486828500000/90824 | context | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-937b-0050c2490048/v3 | ef:flow/4d9a8790-3ddd-11dd-937b-0050c2490048/v4 |
| ef:activity/change/20260822T0600486828500000/90825 | context_iri | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-937b-0050c2490048/v4 | ef:flow/4d9a8790-3ddd-11dd-937b-0050c2490048/v5 |
| ef:activity/change/20260822T0600486828500000/220500 | unit_iri | ef:agent/unit_normalization | ef:flow/4d9a8790-3ddd-11dd-937b-0050c2490048/v5 | ef:flow/4d9a8790-3ddd-11dd-937b-0050c2490048/v6 |
| ef:activity/change/20260822T0600486828500000/226170 | prefLabel | ef:agent/normalize_name_case | ef:flow/4d9a8790-3ddd-11dd-937b-0050c2490048/v6 | ef:flow/4d9a8790-3ddd-11dd-937b-0050c2490048/v7 |
| ef:activity/change/20260822T0600486828500000/247519 | properties | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-937b-0050c2490048/v7 | ef:flow/4d9a8790-3ddd-11dd-937b-0050c2490048/v8 |
| ef:activity/change/20260822T0600486828500000/247520 | skos_definition | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-937b-0050c2490048/v8 | ef:flow/4d9a8790-3ddd-11dd-937b-0050c2490048/v9 |
| ef:activity/change/20260822T0600486828500000/247521 | references | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-937b-0050c2490048/v9 | ef:flow/4d9a8790-3ddd-11dd-937b-0050c2490048/v10 |
| ef:activity/change/20260822T0600486828500000/254183 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4d9a8790-3ddd-11dd-937b-0050c2490048/v10 | ef:flow/4d9a8790-3ddd-11dd-937b-0050c2490048/v11 |
| ef:activity/change/20260822T0600486828500000/257222 | altLabel | ef:agent/chebi_altlabels | ef:flow/4d9a8790-3ddd-11dd-937b-0050c2490048/v11 | ef:flow/4d9a8790-3ddd-11dd-937b-0050c2490048/v12 |
| ef:activity/change/20260822T0600486828500000/268664 | altLabel | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-937b-0050c2490048/v12 | ef:flow/4d9a8790-3ddd-11dd-937b-0050c2490048/v13 |
| ef:activity/change/20260822T0600486828500000/268665 | cas_match_labels | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-937b-0050c2490048/v13 | ef:flow/4d9a8790-3ddd-11dd-937b-0050c2490048/v14 |
| ef:activity/change/20260822T0600486828500000/279398 | properties | ef:agent/opsin_iupac | ef:flow/4d9a8790-3ddd-11dd-937b-0050c2490048/v14 | ef:flow/4d9a8790-3ddd-11dd-937b-0050c2490048/v15 |
| ef:activity/change/20260822T0600486828500000/286274 | properties | ef:agent/rdkit_post_consensus | ef:flow/4d9a8790-3ddd-11dd-937b-0050c2490048/v15 | ef:flow/4d9a8790-3ddd-11dd-937b-0050c2490048/v16 |
| ef:activity/change/20260822T0600486828500000/291628 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/4d9a8790-3ddd-11dd-937b-0050c2490048/v16 | ef:flow/4d9a8790-3ddd-11dd-937b-0050c2490048/v17 |
| ef:activity/change/20260822T0600486828500000/326418 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4d9a8790-3ddd-11dd-937b-0050c2490048/v17 | ef:flow/4d9a8790-3ddd-11dd-937b-0050c2490048/v18 |
| ef:activity/change/20260822T0600486828500000/393791 | properties | ef:agent/normalise_property_values | ef:flow/4d9a8790-3ddd-11dd-937b-0050c2490048/v18 | ef:flow/4d9a8790-3ddd-11dd-937b-0050c2490048/v19 |
| ef:activity/change/20260822T0600486828500000/402977 | types | ef:agent/link_flows_to_their_substance | ef:flow/4d9a8790-3ddd-11dd-937b-0050c2490048/v19 | ef:flow/4d9a8790-3ddd-11dd-937b-0050c2490048/v20 |