Ethionamide
Everything that changed this flow. Back to the flow
9adc0997-d629-4187-9822-339e8541b3c0
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): 'Bayer 5312' (trade name), 'NSC 255115' (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=ethionamide||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'536-33-4': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f7b39c9f72588d05: {'536-33-4': '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, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['536-33-4']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_4885']; candidate_pubchem_cids=[178, 2761171, 9920436, 10932062]; selected_pubchem_cids=[2761171]; 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 |
|---|---|---|---|---|---|
| 8,786 | bootstrap_labels | prefLabel | — | [{"@value":"ethionamide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"co… | Bootstrapped prefLabel from legacy name field |
| 8,787 | bootstrap_labels | name | ethionamide | — | Purged legacy name field to enforce prefLabel usage |
| 24,429 | bootstrap_labels | synonyms | ["ethionamide","2-ethylpyridine-4-carbothioamide","2-ethylthioisonicotinate",".alpha.-Ethyl-thioisonicotinamide",".alph… | [] | Removed legacy synonyms field in favor of structured labels |
| 141,818 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 141,819 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 216,263 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,163 | normalize_name_case | prefLabel | [{"@value":"ethionamide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"co… | [{"@value":"Ethionamide","@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) |
| 235,584 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H10N2S"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 235,585 | enrich_references | skos_definition | — | [{"@value":"A thiocarboxamide that is pyridine-4-carbothioamide substituted by an ethyl group at position 2. A prodrug… | Merged ChEBI/PubChem definitions into skos:definition |
| 235,586 | enrich_references | references | [] | [{"@id":"drugcentral:1083","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['536-33-4']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_4885']; candidate_pubchem_cids=[178, 2761171, 9920436, 10932062]; selected_pubchem_cids=[2761171]; 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 |
| 250,734 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H10N2S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H10N2S"]… | rdkit_pre_consensus from 'CCC1=NC=CC(=C1)C(=S)N'; added: monoisotopic_mass |
| 255,625 | chebi_altlabels | altLabel | [] | [{"@value":"2-ethyl-4-thiopyridylamide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | Added 14 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 266,780 | consensus_match | altLabel | [{"@value":"2-ethyl-4-thiopyridylamide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | [{"@value":"2-ethyl-4-thiopyridylamide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | group_key=ethionamide||dimension=Environmental > media=Ground > geography=Unknown; cas=536-33-4; added Common Chemistry CAS names as altLabel: 1314TH, 2-Ethyl-4-pyridinecarbothioamide, 2-Ethyl-4-thiocarbamoylpyridine, 2-Ethylisonicotinic acid thioamide, 2-Ethylisonicotinothioamide, 2-Ethylisothionicotinamide, 2-Ethylpyridine-4-thiocarboxamide, 2-Ethylthioisonicotinamide, 4-Pyridinecarbothioamide, 2-ethyl-, Amidazine, Bayer 5312, Ethina, Etimid, Etionid, Etionizin, Etionizine, F.I. 58-30, Iridocin, Iridocin Bayer, Iridozin, Isonicotinamide, 2-ethylthio-, Isonicotinimidic acid, 2-ethylthio-, MeSH ID: D005000, NSC 255115, Nizotin, Sertinon, Teberus, Thianid, Thianide, Thiodine, Tianid, Tiomid, Trecator SC, Trekator, Trescatyl, α-Ethylisothionicotinamide, α-Ethylthioisonicotinamide; object_uuid=fo-f7b39c9f72588d05 |
| 266,781 | consensus_match | cas_match_labels | — | {"536-33-4":"exactMatch"} | group_key=ethionamide||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'536-33-4': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f7b39c9f72588d05: {'536-33-4': 'exactMatch'} |
| 275,904 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H10N2S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H10N2S"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-ethylpyridine-4-carbothioamide' |
| 282,472 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H10N2S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H10N2S"]… | rdkit_post_consensus from 'CCc1cc(C(N)=S)ccn1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,083 | strip_catalogue_altlabels | altLabel | [{"@value":"2-ethyl-4-thiopyridylamide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | [{"@value":"2-ethyl-4-thiopyridylamide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | Removed 2 catalogue altLabel value(s): 'Bayer 5312' (trade name), 'NSC 255115' (registry code) |
| 351,910 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/9adc0997-d629-… | associations resolved on the elementary layer |
| 390,251 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H10N2S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H10N2S"]… | typed the way the ontology types it |
| 397,780 | 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/20260822T0600486828500000/8786 | prefLabel | ef:agent/bootstrap_labels | ef:flow/9adc0997-d629-4187-9822-339e8541b3c0/v0 | ef:flow/9adc0997-d629-4187-9822-339e8541b3c0/v1 |
| ef:activity/change/20260822T0600486828500000/8787 | name | ef:agent/bootstrap_labels | ef:flow/9adc0997-d629-4187-9822-339e8541b3c0/v1 | ef:flow/9adc0997-d629-4187-9822-339e8541b3c0/v2 |
| ef:activity/change/20260822T0600486828500000/24429 | synonyms | ef:agent/bootstrap_labels | ef:flow/9adc0997-d629-4187-9822-339e8541b3c0/v2 | ef:flow/9adc0997-d629-4187-9822-339e8541b3c0/v3 |
| ef:activity/change/20260822T0600486828500000/141818 | context | ef:agent/default_context_mapping | ef:flow/9adc0997-d629-4187-9822-339e8541b3c0/v3 | ef:flow/9adc0997-d629-4187-9822-339e8541b3c0/v4 |
| ef:activity/change/20260822T0600486828500000/141819 | context_iri | ef:agent/default_context_mapping | ef:flow/9adc0997-d629-4187-9822-339e8541b3c0/v4 | ef:flow/9adc0997-d629-4187-9822-339e8541b3c0/v5 |
| ef:activity/change/20260822T0600486828500000/216263 | unit_iri | ef:agent/unit_normalization | ef:flow/9adc0997-d629-4187-9822-339e8541b3c0/v5 | ef:flow/9adc0997-d629-4187-9822-339e8541b3c0/v6 |
| ef:activity/change/20260822T0600486828500000/223163 | prefLabel | ef:agent/normalize_name_case | ef:flow/9adc0997-d629-4187-9822-339e8541b3c0/v6 | ef:flow/9adc0997-d629-4187-9822-339e8541b3c0/v7 |
| ef:activity/change/20260822T0600486828500000/235584 | properties | ef:agent/enrich_references | ef:flow/9adc0997-d629-4187-9822-339e8541b3c0/v7 | ef:flow/9adc0997-d629-4187-9822-339e8541b3c0/v8 |
| ef:activity/change/20260822T0600486828500000/235585 | skos_definition | ef:agent/enrich_references | ef:flow/9adc0997-d629-4187-9822-339e8541b3c0/v8 | ef:flow/9adc0997-d629-4187-9822-339e8541b3c0/v9 |
| ef:activity/change/20260822T0600486828500000/235586 | references | ef:agent/enrich_references | ef:flow/9adc0997-d629-4187-9822-339e8541b3c0/v9 | ef:flow/9adc0997-d629-4187-9822-339e8541b3c0/v10 |
| ef:activity/change/20260822T0600486828500000/250734 | properties | ef:agent/rdkit_pre_consensus | ef:flow/9adc0997-d629-4187-9822-339e8541b3c0/v10 | ef:flow/9adc0997-d629-4187-9822-339e8541b3c0/v11 |
| ef:activity/change/20260822T0600486828500000/255625 | altLabel | ef:agent/chebi_altlabels | ef:flow/9adc0997-d629-4187-9822-339e8541b3c0/v11 | ef:flow/9adc0997-d629-4187-9822-339e8541b3c0/v12 |
| ef:activity/change/20260822T0600486828500000/266780 | altLabel | ef:agent/consensus_match | ef:flow/9adc0997-d629-4187-9822-339e8541b3c0/v12 | ef:flow/9adc0997-d629-4187-9822-339e8541b3c0/v13 |
| ef:activity/change/20260822T0600486828500000/266781 | cas_match_labels | ef:agent/consensus_match | ef:flow/9adc0997-d629-4187-9822-339e8541b3c0/v13 | ef:flow/9adc0997-d629-4187-9822-339e8541b3c0/v14 |
| ef:activity/change/20260822T0600486828500000/275904 | properties | ef:agent/opsin_iupac | ef:flow/9adc0997-d629-4187-9822-339e8541b3c0/v14 | ef:flow/9adc0997-d629-4187-9822-339e8541b3c0/v15 |
| ef:activity/change/20260822T0600486828500000/282472 | properties | ef:agent/rdkit_post_consensus | ef:flow/9adc0997-d629-4187-9822-339e8541b3c0/v15 | ef:flow/9adc0997-d629-4187-9822-339e8541b3c0/v16 |
| ef:activity/change/20260822T0600486828500000/289083 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/9adc0997-d629-4187-9822-339e8541b3c0/v16 | ef:flow/9adc0997-d629-4187-9822-339e8541b3c0/v17 |
| ef:activity/change/20260822T0600486828500000/351910 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/9adc0997-d629-4187-9822-339e8541b3c0/v17 | ef:flow/9adc0997-d629-4187-9822-339e8541b3c0/v18 |
| ef:activity/change/20260822T0600486828500000/390251 | properties | ef:agent/normalise_property_values | ef:flow/9adc0997-d629-4187-9822-339e8541b3c0/v18 | ef:flow/9adc0997-d629-4187-9822-339e8541b3c0/v19 |
| ef:activity/change/20260822T0600486828500000/397780 | types | ef:agent/link_flows_to_their_substance | ef:flow/9adc0997-d629-4187-9822-339e8541b3c0/v19 | ef:flow/9adc0997-d629-4187-9822-339e8541b3c0/v20 |