Disulfiram
Everything that changed this flow. Back to the flow
54dd7cb0-9d66-4354-b151-76de62a252e9
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 3 catalogue altLabel value(s): 'NSC 25953' (registry code), 'TETD 75' (grade code), 'TETD 80' (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=disulfiram||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'97-77-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bf5ee2998b62ca57: {'97-77-8': '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 (long-term) |
| 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 (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['97-77-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_4659']; candidate_pubchem_cids=[3117, 87091167]; selected_pubchem_cids=[3117]; 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 |
|---|---|---|---|---|---|
| 14,747 | bootstrap_labels | prefLabel | — | [{"@value":"disulfiram","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"con… | Bootstrapped prefLabel from legacy name field |
| 14,748 | bootstrap_labels | name | disulfiram | — | Purged legacy name field to enforce prefLabel usage |
| 14,749 | bootstrap_labels | synonyms | ["1,1',1'',1'''-[disulfanediylbis(carbonothioylnitrilo)]tetraethane","1,1',1'',1'''-[dithiobis(carbonothioylnitrilo)]te… | [] | Removed legacy synonyms field in favor of structured labels |
| 100,296 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 100,297 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 218,207 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,503 | normalize_name_case | prefLabel | [{"@value":"disulfiram","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"con… | [{"@value":"Disulfiram","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"con… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 241,136 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20N2S4… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 241,137 | enrich_references | skos_definition | — | [{"@value":"An organic disulfide that results from the formal oxidative dimerisation of N,N-diethyldithiocarbamic acid.… | Merged ChEBI/PubChem definitions into skos:definition |
| 241,138 | enrich_references | references | [] | [{"@id":"drugcentral:928","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"c… | Added references with provenance; cas_numbers=['97-77-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_4659']; candidate_pubchem_cids=[3117, 87091167]; selected_pubchem_cids=[3117]; 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 |
| 252,341 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20N2S4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20N2S4… | rdkit_pre_consensus from 'CCN(CC)C(=S)SSC(=S)N(CC)CC'; added: monoisotopic_mass |
| 256,360 | chebi_altlabels | altLabel | [] | [{"@value":"1,1',1'',1'''-[disulfanediylbis(carbonothioylnitrilo)]tetraethane","@language":"en","source":{"prov:wasGene… | Added 9 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 266,561 | consensus_match | altLabel | [{"@value":"1,1',1'',1'''-[disulfanediylbis(carbonothioylnitrilo)]tetraethane","@language":"en","source":{"prov:wasGene… | [{"@value":"1,1',1'',1'''-[disulfanediylbis(carbonothioylnitrilo)]tetraethane","@language":"en","source":{"prov:wasGene… | group_key=disulfiram||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=97-77-8; added Common Chemistry CAS names as altLabel: <em>N</em>,<em>N</em>,<em>N</em>′,<em>N</em>′-Tetraethyldithiuram disulfide, <em>N</em>,<em>N</em>,<em>N</em>′,<em>N</em>′-Tetraethylthioperoxydicarbonic diamide ([(H<sub>2</sub>N)C(S)]<sub>2</sub>S<sub>2</sub>), <em>N</em>,<em>N</em>,<em>N</em>′,<em>N</em>′-Tetraethylthiuram disulfide, <em>N</em>,<em>N</em>-Diethyl[(diethylcarbamothioyl)disulfanyl]carbothioamide, Abstensil, Abstinil, Abstinyl, Accel TET, Accel TET-R, Accelerator TET, Akrochem TETD, Alcophobin, Antabus, Antadix, Antaethyl, Antalcol, Antetan, Antetil, Anticol, Antietanol, Antietil, Antikol, Antivitium, Aversan, Averzan, Bis(<em>N</em>,<em>N</em>-diethylthiocarbamoyl) disulfide, Contralin, Cronetal, Curebead PB 75, Curekind TETD, Dicupral, Disulfide, bis(diethylthiocarbamoyl), Ekagom DTET, Ekagom TEDS, Ekagom TETDS, Espenal, Esperal, Etabus, Ethyl Thiram, Ethyl Thiurad, Ethyl Tuads, Ethyl Tuex, Etiltox, Exhoran, Exhorran, Hoca, Krotenal, NSC 25953, Nocceler TED, Nocceler TET, Nocceler TET-G, Noxal, Refusal, Rhenogran TETD, Sanceler TET, Sanceler TET-G, Soxinol TET, Stopetyl, TETD, TETD 75, TETD 80, TETDS, TTD, TTs, Tetradin, Tetradine, Tetraethyldithiuram disulfide, Tetraethylthiram disulfide, Tetraethylthiuram, Tetraethylthiuram sulfide, Tetraetil, Teturam, Teturamin, Thioperoxydicarbonic diamide ([(H<sub>2</sub>N)C(S)]<sub>2</sub>S<sub>2</sub>), <em>N</em>,<em>N</em>,<em>N</em>′,<em>N</em>′-tetraethyl-, Thioperoxydicarbonic diamide ([(H<sub>2</sub>N)C(S)]<sub>2</sub>S<sub>2</sub>), tetraethyl-, Thiuram E, Thiuranide; object_uuid=fo-bf5ee2998b62ca57 |
| 266,562 | consensus_match | cas_match_labels | — | {"97-77-8":"exactMatch"} | group_key=disulfiram||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'97-77-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bf5ee2998b62ca57: {'97-77-8': 'exactMatch'} |
| 277,549 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20N2S4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20N2S4… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,1',1'',1'''-[disulfanediylbis(carbonothioylnitrilo)]tetraethane' |
| 284,241 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20N2S4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20N2S4… | rdkit_post_consensus from 'CCN(CC)C(=S)SSC(=S)N(CC)CC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,298 | strip_catalogue_altlabels | altLabel | [{"@value":"1,1',1'',1'''-[disulfanediylbis(carbonothioylnitrilo)]tetraethane","@language":"en","source":{"prov:wasGene… | [{"@value":"1,1',1'',1'''-[disulfanediylbis(carbonothioylnitrilo)]tetraethane","@language":"en","source":{"prov:wasGene… | Removed 3 catalogue altLabel value(s): 'NSC 25953' (registry code), 'TETD 75' (grade code), 'TETD 80' (grade code) |
| 331,165 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/54dd7cb0-9d66-… | associations resolved on the elementary layer |
| 391,907 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20N2S4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H20N2S4… | typed the way the ontology types it |
| 400,139 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 400,140 | link_flows_to_their_substance | roles | — | [{"@id":"http://purl.obolibrary.org/obo/CHEBI_22153","rdfs:label":"acaricide","http://www.w3.org/2004/02/skos/core#defi… | 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/20260820T0738569779880000/14747 | prefLabel | ef:agent/bootstrap_labels | ef:flow/54dd7cb0-9d66-4354-b151-76de62a252e9/v0 | ef:flow/54dd7cb0-9d66-4354-b151-76de62a252e9/v1 |
| ef:activity/change/20260820T0738569779880000/14748 | name | ef:agent/bootstrap_labels | ef:flow/54dd7cb0-9d66-4354-b151-76de62a252e9/v1 | ef:flow/54dd7cb0-9d66-4354-b151-76de62a252e9/v2 |
| ef:activity/change/20260820T0738569779880000/14749 | synonyms | ef:agent/bootstrap_labels | ef:flow/54dd7cb0-9d66-4354-b151-76de62a252e9/v2 | ef:flow/54dd7cb0-9d66-4354-b151-76de62a252e9/v3 |
| ef:activity/change/20260820T0738569779880000/100296 | context | ef:agent/default_context_mapping | ef:flow/54dd7cb0-9d66-4354-b151-76de62a252e9/v3 | ef:flow/54dd7cb0-9d66-4354-b151-76de62a252e9/v4 |
| ef:activity/change/20260820T0738569779880000/100297 | context_iri | ef:agent/default_context_mapping | ef:flow/54dd7cb0-9d66-4354-b151-76de62a252e9/v4 | ef:flow/54dd7cb0-9d66-4354-b151-76de62a252e9/v5 |
| ef:activity/change/20260820T0738569779880000/218207 | unit_iri | ef:agent/unit_normalization | ef:flow/54dd7cb0-9d66-4354-b151-76de62a252e9/v5 | ef:flow/54dd7cb0-9d66-4354-b151-76de62a252e9/v6 |
| ef:activity/change/20260820T0738569779880000/224503 | prefLabel | ef:agent/normalize_name_case | ef:flow/54dd7cb0-9d66-4354-b151-76de62a252e9/v6 | ef:flow/54dd7cb0-9d66-4354-b151-76de62a252e9/v7 |
| ef:activity/change/20260820T0738569779880000/241136 | properties | ef:agent/enrich_references | ef:flow/54dd7cb0-9d66-4354-b151-76de62a252e9/v7 | ef:flow/54dd7cb0-9d66-4354-b151-76de62a252e9/v8 |
| ef:activity/change/20260820T0738569779880000/241137 | skos_definition | ef:agent/enrich_references | ef:flow/54dd7cb0-9d66-4354-b151-76de62a252e9/v8 | ef:flow/54dd7cb0-9d66-4354-b151-76de62a252e9/v9 |
| ef:activity/change/20260820T0738569779880000/241138 | references | ef:agent/enrich_references | ef:flow/54dd7cb0-9d66-4354-b151-76de62a252e9/v9 | ef:flow/54dd7cb0-9d66-4354-b151-76de62a252e9/v10 |
| ef:activity/change/20260820T0738569779880000/252341 | properties | ef:agent/rdkit_pre_consensus | ef:flow/54dd7cb0-9d66-4354-b151-76de62a252e9/v10 | ef:flow/54dd7cb0-9d66-4354-b151-76de62a252e9/v11 |
| ef:activity/change/20260820T0738569779880000/256360 | altLabel | ef:agent/chebi_altlabels | ef:flow/54dd7cb0-9d66-4354-b151-76de62a252e9/v11 | ef:flow/54dd7cb0-9d66-4354-b151-76de62a252e9/v12 |
| ef:activity/change/20260820T0738569779880000/266561 | altLabel | ef:agent/consensus_match | ef:flow/54dd7cb0-9d66-4354-b151-76de62a252e9/v12 | ef:flow/54dd7cb0-9d66-4354-b151-76de62a252e9/v13 |
| ef:activity/change/20260820T0738569779880000/266562 | cas_match_labels | ef:agent/consensus_match | ef:flow/54dd7cb0-9d66-4354-b151-76de62a252e9/v13 | ef:flow/54dd7cb0-9d66-4354-b151-76de62a252e9/v14 |
| ef:activity/change/20260820T0738569779880000/277549 | properties | ef:agent/opsin_iupac | ef:flow/54dd7cb0-9d66-4354-b151-76de62a252e9/v14 | ef:flow/54dd7cb0-9d66-4354-b151-76de62a252e9/v15 |
| ef:activity/change/20260820T0738569779880000/284241 | properties | ef:agent/rdkit_post_consensus | ef:flow/54dd7cb0-9d66-4354-b151-76de62a252e9/v15 | ef:flow/54dd7cb0-9d66-4354-b151-76de62a252e9/v16 |
| ef:activity/change/20260820T0738569779880000/290298 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/54dd7cb0-9d66-4354-b151-76de62a252e9/v16 | ef:flow/54dd7cb0-9d66-4354-b151-76de62a252e9/v17 |
| ef:activity/change/20260820T0738569779880000/331165 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/54dd7cb0-9d66-4354-b151-76de62a252e9/v17 | ef:flow/54dd7cb0-9d66-4354-b151-76de62a252e9/v18 |
| ef:activity/change/20260820T0738569779880000/391907 | properties | ef:agent/normalise_property_values | ef:flow/54dd7cb0-9d66-4354-b151-76de62a252e9/v18 | ef:flow/54dd7cb0-9d66-4354-b151-76de62a252e9/v19 |
| ef:activity/change/20260820T0738569779880000/400139 | types | ef:agent/link_flows_to_their_substance | ef:flow/54dd7cb0-9d66-4354-b151-76de62a252e9/v19 | ef:flow/54dd7cb0-9d66-4354-b151-76de62a252e9/v20 |
| ef:activity/change/20260820T0738569779880000/400140 | roles | ef:agent/link_flows_to_their_substance | ef:flow/54dd7cb0-9d66-4354-b151-76de62a252e9/v20 | ef:flow/54dd7cb0-9d66-4354-b151-76de62a252e9/v21 |