Busulfan
Everything that changed this flow. Back to the flow
fcd31ffb-ccab-46ca-9473-4b3b346b3cfe
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 6 catalogue altLabel value(s): 'AN 33501' (grade code), 'CB 2041' (grade code), 'GT 2041' (grade code), 'GT 41' (grade code), 'NSC 750' (registry code), 'X 149' (grade code) |
| cas_match_labels | 1 | consensus_match | group_key=busulfan||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'55-98-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9b510a0931418cae: {'55-98-1': '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 urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['55-98-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_28901']; candidate_pubchem_cids=[2478, 53446413]; selected_pubchem_cids=[2478]; 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
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 22,133 | bootstrap_labels | prefLabel | — | [{"@value":"Busulfan","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"conse… | Bootstrapped prefLabel from legacy name field |
| 22,134 | bootstrap_labels | name | Busulfan | — | Purged legacy name field to enforce prefLabel usage |
| 22,135 | bootstrap_labels | synonyms | ["organic","busulfan"] | [] | Removed legacy synonyms field in favor of structured labels |
| 201,640 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 201,641 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 220,407 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 247,283 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14O6S2"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 247,284 | enrich_references | skos_definition | — | [{"@value":"A methanesulfonate ester that is butane-1,4-diol in which the hydrogens of the hydroxy groups are replaced… | Merged ChEBI/PubChem definitions into skos:definition |
| 247,285 | enrich_references | references | [] | [{"@id":"drugcentral:438","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"c… | Added references with provenance; cas_numbers=['55-98-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_28901']; candidate_pubchem_cids=[2478, 53446413]; selected_pubchem_cids=[2478]; 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 |
| 257,181 | chebi_altlabels | altLabel | [] | [{"@value":"1,4-Bis(methanesulfonoxy)butane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:w… | Added 16 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 264,517 | consensus_match | altLabel | [{"@value":"1,4-Bis(methanesulfonoxy)butane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:w… | [{"@value":"1,4-Bis(methanesulfonoxy)butane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:w… | group_key=busulfan||dimension=Environmental > media=Water > water_body=Surface water; cas=55-98-1; added Common Chemistry CAS names as altLabel: 1,4-Bis(methanesulfonyloxy)butane, 1,4-Butanediol dimesulfonate, 1,4-Butanediol dimesylate, 1,4-Butanediol, 1,4-dimethanesulfonate, 1,4-Butanediol, dimethanesulfonate, 1,4-Dibutanediol dimethanesulfonate, 1,4-Dimethylsulfonyloxybutane, 2041CB, 4-Methylsulfonyloxybutyl methanesulfonate, AN 33501, Busilvex, Busulfex, Busulphan, Butane-1,4-diyl bis(methanesulfonate), CB 2041, Citosulfan, GT 2041, GT 41, Glyzophrol, MeSH ID: D002066, Methanesulfonic acid, tetramethylene ester, Mielevcin, Mielosan, Milecitan, Mileran, Myelosan, Mylecytan, Myran, NCI C01592, NSC 750, Sulfabutin, Sulphabutin, Tetramethylene bis[methanesulfonate], X 149; object_uuid=fo-9b510a0931418cae |
| 264,518 | consensus_match | cas_match_labels | — | {"55-98-1":"exactMatch"} | group_key=busulfan||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'55-98-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9b510a0931418cae: {'55-98-1': 'exactMatch'} |
| 279,336 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14O6S2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14O6S2"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Busulfan' |
| 286,209 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14O6S2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14O6S2"… | rdkit_post_consensus from 'CS(=O)(=O)OCCCCOS(C)(=O)=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,592 | strip_catalogue_altlabels | altLabel | [{"@value":"1,4-Bis(methanesulfonoxy)butane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:w… | [{"@value":"1,4-Bis(methanesulfonoxy)butane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:w… | Removed 6 catalogue altLabel value(s): 'AN 33501' (grade code), 'CB 2041' (grade code), 'GT 2041' (grade code), 'GT 41' (grade code), 'NSC 750' (registry code), 'X 149' (grade code) |
| 381,874 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/fcd31ffb-ccab-… | associations resolved on the elementary layer |
| 393,731 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14O6S2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14O6S2"… | typed the way the ontology types it |
| 402,877 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 402,878 | link_flows_to_their_substance | roles | — | [{"@id":"http://purl.obolibrary.org/obo/CHEBI_24852","rdfs:label":"insecticide","http://www.w3.org/2004/02/skos/core#de… | the substance's answer, copied onto its flow |
PROV-O trail
19 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/20260820T0738569779880000/22133 | prefLabel | ef:agent/bootstrap_labels | ef:flow/fcd31ffb-ccab-46ca-9473-4b3b346b3cfe/v0 | ef:flow/fcd31ffb-ccab-46ca-9473-4b3b346b3cfe/v1 |
| ef:activity/change/20260820T0738569779880000/22134 | name | ef:agent/bootstrap_labels | ef:flow/fcd31ffb-ccab-46ca-9473-4b3b346b3cfe/v1 | ef:flow/fcd31ffb-ccab-46ca-9473-4b3b346b3cfe/v2 |
| ef:activity/change/20260820T0738569779880000/22135 | synonyms | ef:agent/bootstrap_labels | ef:flow/fcd31ffb-ccab-46ca-9473-4b3b346b3cfe/v2 | ef:flow/fcd31ffb-ccab-46ca-9473-4b3b346b3cfe/v3 |
| ef:activity/change/20260820T0738569779880000/201640 | context | ef:agent/default_context_mapping | ef:flow/fcd31ffb-ccab-46ca-9473-4b3b346b3cfe/v3 | ef:flow/fcd31ffb-ccab-46ca-9473-4b3b346b3cfe/v4 |
| ef:activity/change/20260820T0738569779880000/201641 | context_iri | ef:agent/default_context_mapping | ef:flow/fcd31ffb-ccab-46ca-9473-4b3b346b3cfe/v4 | ef:flow/fcd31ffb-ccab-46ca-9473-4b3b346b3cfe/v5 |
| ef:activity/change/20260820T0738569779880000/220407 | unit_iri | ef:agent/unit_normalization | ef:flow/fcd31ffb-ccab-46ca-9473-4b3b346b3cfe/v5 | ef:flow/fcd31ffb-ccab-46ca-9473-4b3b346b3cfe/v6 |
| ef:activity/change/20260820T0738569779880000/247283 | properties | ef:agent/enrich_references | ef:flow/fcd31ffb-ccab-46ca-9473-4b3b346b3cfe/v6 | ef:flow/fcd31ffb-ccab-46ca-9473-4b3b346b3cfe/v7 |
| ef:activity/change/20260820T0738569779880000/247284 | skos_definition | ef:agent/enrich_references | ef:flow/fcd31ffb-ccab-46ca-9473-4b3b346b3cfe/v7 | ef:flow/fcd31ffb-ccab-46ca-9473-4b3b346b3cfe/v8 |
| ef:activity/change/20260820T0738569779880000/247285 | references | ef:agent/enrich_references | ef:flow/fcd31ffb-ccab-46ca-9473-4b3b346b3cfe/v8 | ef:flow/fcd31ffb-ccab-46ca-9473-4b3b346b3cfe/v9 |
| ef:activity/change/20260820T0738569779880000/257181 | altLabel | ef:agent/chebi_altlabels | ef:flow/fcd31ffb-ccab-46ca-9473-4b3b346b3cfe/v9 | ef:flow/fcd31ffb-ccab-46ca-9473-4b3b346b3cfe/v10 |
| ef:activity/change/20260820T0738569779880000/264517 | altLabel | ef:agent/consensus_match | ef:flow/fcd31ffb-ccab-46ca-9473-4b3b346b3cfe/v10 | ef:flow/fcd31ffb-ccab-46ca-9473-4b3b346b3cfe/v11 |
| ef:activity/change/20260820T0738569779880000/264518 | cas_match_labels | ef:agent/consensus_match | ef:flow/fcd31ffb-ccab-46ca-9473-4b3b346b3cfe/v11 | ef:flow/fcd31ffb-ccab-46ca-9473-4b3b346b3cfe/v12 |
| ef:activity/change/20260820T0738569779880000/279336 | properties | ef:agent/opsin_iupac | ef:flow/fcd31ffb-ccab-46ca-9473-4b3b346b3cfe/v12 | ef:flow/fcd31ffb-ccab-46ca-9473-4b3b346b3cfe/v13 |
| ef:activity/change/20260820T0738569779880000/286209 | properties | ef:agent/rdkit_post_consensus | ef:flow/fcd31ffb-ccab-46ca-9473-4b3b346b3cfe/v13 | ef:flow/fcd31ffb-ccab-46ca-9473-4b3b346b3cfe/v14 |
| ef:activity/change/20260820T0738569779880000/291592 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/fcd31ffb-ccab-46ca-9473-4b3b346b3cfe/v14 | ef:flow/fcd31ffb-ccab-46ca-9473-4b3b346b3cfe/v15 |
| ef:activity/change/20260820T0738569779880000/381874 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/fcd31ffb-ccab-46ca-9473-4b3b346b3cfe/v15 | ef:flow/fcd31ffb-ccab-46ca-9473-4b3b346b3cfe/v16 |
| ef:activity/change/20260820T0738569779880000/393731 | properties | ef:agent/normalise_property_values | ef:flow/fcd31ffb-ccab-46ca-9473-4b3b346b3cfe/v16 | ef:flow/fcd31ffb-ccab-46ca-9473-4b3b346b3cfe/v17 |
| ef:activity/change/20260820T0738569779880000/402877 | types | ef:agent/link_flows_to_their_substance | ef:flow/fcd31ffb-ccab-46ca-9473-4b3b346b3cfe/v17 | ef:flow/fcd31ffb-ccab-46ca-9473-4b3b346b3cfe/v18 |
| ef:activity/change/20260820T0738569779880000/402878 | roles | ef:agent/link_flows_to_their_substance | ef:flow/fcd31ffb-ccab-46ca-9473-4b3b346b3cfe/v18 | ef:flow/fcd31ffb-ccab-46ca-9473-4b3b346b3cfe/v19 |